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There are 77 purchasable compounds for target: Abelson murine leukemia viral oncogene homolog 2

Wt: 1134.9
BDBM11
Purchase
Wt: 475.3
BDBM21
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Wt: 466.5
BDBM2579
Purchase
Wt: 530.4
BDBM4552
Purchase
Wt: 485.9
BDBM4779
Purchase
Wt: 398.4
BDBM4814
Purchase
Wt: 346.8
BDBM4851
Purchase
Wt: 581.0
BDBM5445
Purchase
Wt: 393.4
BDBM5446
Purchase
Wt: 446.9
BDBM5447
Purchase
Wt: 401.8
BDBM5655
Purchase
Wt: 380.5
BDBM5931
Purchase
Wt: 443.3
BDBM6568
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Wt: 394.3
BDBM6866
Purchase
Wt: 354.4
BDBM7533
Purchase
Displayed 1 to 15 (of 79 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 11,21,2579,4552,4779,4814,4851,5445,5446,5447,5655,5931,6568,6866,7533   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 160n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for ABL2; NA=Not Active at 10 uM


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 110n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.20E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for ABL2; NA=Not Active at 10 uM


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 300n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for ABL2; NA=Not Active at 10 uM


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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PubMed
n/an/an/a 1.30E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for ABL2; NA=Not Active at 10 uM


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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n/an/an/a 870n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 200n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB | Lapatinib | N-{...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM7533
PNG
((2R)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]am...)
Show SMILES CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 69n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
ABL2


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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PCBioAssay
n/an/an/a 8.70E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
ABL2


(Homo sapiens)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 2.00E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
ABL2


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.00E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
ABL2


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 6.90E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to ABL2


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of ABL2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM11
PNG
(beta-cyclodextrin | betadex)
Show SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Show InChI InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
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n/an/an/a 6n/an/an/an/an/a



Oxford University

Curated by ChEMBL


Assay Description
Binding affinity to human active site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM11
PNG
(beta-cyclodextrin | betadex)
Show SMILES OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@@H]8[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
Show InChI InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
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n/an/an/a 500n/an/an/an/an/a



Oxford University

Curated by ChEMBL


Assay Description
Binding affinity to human remote site of N-terminal hexahistidine-tagged ABL2 expressed in Trichoplusia ni infected Sf9 cells by isothermal titration...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB | Lapatinib | N-{...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5655
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydr...)
Show SMILES CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4779
PNG
(CHEMBL31965 | CHEMBL545315 | CI-1033 | N-{4-[(3-ch...)
Show SMILES Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl
Show InChI InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)
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PubMed
n/an/an/a 870n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5447
PNG
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/an/a 200n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM6568
PNG
(6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...)
Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)
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n/an/an/a 0.690n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM5931
PNG
(BMS-387072 | CHEMBL296468 | N-(5-{[(5-tert-butyl-1...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCNCC3)s2)o1
Show InChI InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/an/a 1.5n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4851
PNG
((4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
Show InChI InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
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n/an/an/a>1.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 1.00E+3n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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n/an/an/a 69n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/an/a 11n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for ABL2 kinase domain


Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens)
BDBM21
PNG
(6-[(4R,5S,6S,7R)-4,7-dibenzyl-3-(5-carboxypentyl)-...)
Show SMILES COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCN(C)CC1
Show InChI InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a 130n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for ABL2; NA=Not Active at 10 uM


Citation and Details
More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 333 hits for monomerid = 11,21,2579,4552,4779,4814,4851,5445,5446,5447,5655,5931,6568,6866,7533
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.66-1.172.896.9020


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.28-1.602.866.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.89-2.35-1.582.856.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-2.35-1.552.866.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.28-1.602.846.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.89-2.35-1.582.856.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.94-2.03-1.962.846.9030


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-1.62-2.362.786.9035


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM6
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.70-0.926-2.792.716.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM7
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.75-0.498-3.272.746.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM8
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.32-0.997-2.342.436.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM8
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.72-1.71-1.0526.9025


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM10
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.91-0.997-0.8841.406.9025


TBA



Details of this binding reaction

BDBM2579
JPEG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Serine/threonine-protein kinase PIM

(Homo sapiens (human))
CHEBI
MMDB
PC cid
PC sid
DrugBank
GoogleScholar
KEGG
PDB
-11.5-3.33-8.098.857.510


TBA



Details of this binding reaction

BDBM11
JPEG
BDBM36015
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.53-0.456-2.081.856.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36015
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.38-0.285-2.101.74524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.530.762-3.301.856.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.450.833-3.291.80524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36017
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.231.99-3.220.898524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36032
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.040.0498-2.081.516.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36009
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.87-0.669-2.202.116.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM7887
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
DrugBank
MMDB
PC cid
PC sid
PDB
-3.560.242-3.802.611024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36011
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.50-1.22-3.303.306.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50049797
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-2.051.89-3.951.516.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50049797
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-2.022.34-4.371.48524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36012
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.170.0712-2.241.596.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36012
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.140.313-2.441.57524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36013
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.56-1.07-0.4781.146.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36014
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.59-0.263-2.321.906.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36014
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.42-0.192-2.221.77524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36018
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.570.242-2.791.886.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36018
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.480.690-3.181.82524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36019
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.68-0.762-1.931.976.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36019
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.57-0.619-1.961.89524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50091035
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.41-0.0712-1.361.046.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM50091035
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-0.8602.34-3.200.630524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36020
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.560.762-3.201.786.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36020
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.341.32-3.651.71524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36030
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.65-1.02-1.631.956.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36030
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.56-0.833-1.731.87524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36031
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-1.98-0.477-1.501.456.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36031
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-1.81-0.0712-1.741.33524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36021
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.162.17-4.351.596.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36021
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.072.87-4.941.51524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36022
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.350.911-3.271.726.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36022
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.251.55-3.791.65524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.89-0.356-1.531.386.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.77-0.142-1.651.30524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36024
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.272.36-4.641.676.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36024
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.173.06-5.231.59524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM7886
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
-1.917.40-9.311.401024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.93-1.12-1.822.156.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36027
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-2.77-0.577-2.202.046.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36027
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-2.70-0.427-2.251.98524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36028
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.51-0.121-2.391.846.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36029
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.710.285-3.001.996.9024.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36029
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.580.335-2.921.89524.9



NIST





J Am Chem Soc 117: 8830-40 (1995)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.49-0.541-1.951.836.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36033
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.43-0.484-1.941.786.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36035
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.504.59-6.091.106.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36036
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.684.02-5.681.236.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36037
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.861.13-3.992.106.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36038
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.881.21-4.082.116.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36039
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.360.0214-2.391.744.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36040
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.270.121-2.391.664.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36043
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.82-1.02-1.812.076.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36041
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.23-1.03-2.202.376.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36042
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.22-1.00-2.222.366.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36044
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.81-1.02-1.792.066.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36045
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.62-0.691-1.931.926.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36046
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.63-0.762-1.861.936.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50043820
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.861.13-3.992.106.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM50043802
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-2.881.21-4.082.116.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM36121
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.810.712-3.532.066.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM36122
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.710.477-3.181.996.9025



Nagoya Institute of Technology





J Am Chem Soc 126: 14224-33 (2004)

BDBM11
JPEG
BDBM36047
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.52-0.406-2.131.856.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36048
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.51-0.313-2.201.846.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36049
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.53-1.22-2.322.596.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36050
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.50-1.15-2.342.566.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36051
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.84-0.548-3.302.826.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36052
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.77-0.712-3.062.766.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36053
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.39-0.762-2.632.496.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36054
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.35-0.812-2.532.456.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36055
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.872.31-7.193.586.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36056
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.852.22-7.073.566.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36057
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.94-0.712-2.222.156.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36058
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.93-0.527-2.412.156.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36059
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.30-0.427-2.882.426.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36060
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.32-0.356-2.962.436.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36061
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.071.21-4.252.256.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36062
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.161.08-4.232.326.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36063
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.741.96-3.701.286.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36064
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.890.0926-1.981.386.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36065
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.661.82-6.473.426.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36065
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.621.84-6.453.394.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36066
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.621.89-6.503.396.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36066
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.591.89-6.473.374.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36067
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.751.21-4.942.756.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36068
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.671.00-4.662.696.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36069
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.96-0.833-2.132.176.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36070
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.95-0.577-2.392.176.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36071
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-2.63-1.68-0.9511.936.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36072
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.64-1.63-1.011.936.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36073
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.43-1.55-1.872.526.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36074
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.43-1.55-1.882.526.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36075
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.05-0.385-1.671.516.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36076
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.77-0.598-1.171.306.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36077
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.111.72-6.833.754.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36077
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.211.64-6.853.834.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36079
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.76-1.39-1.382.026.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36080
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.70-1.60-1.101.976.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36081
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.28-0.385-1.891.676.1025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36082
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.36-0.313-2.051.736.1025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36083
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.83-2.49-1.342.816.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36084
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.79-2.51-1.282.786.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36085
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.610.0498-4.663.376.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36086
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.590.192-4.783.366.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50129068
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.41-0.242-1.171.046.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50129063
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.29-0.192-1.100.9546.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36087
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.49-0.620-1.861.836.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36087
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.42-0.477-1.961.784.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36088
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.53-0.577-1.961.866.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36088
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.48-0.477-2.021.824.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36089
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.41-0.356-1.051.046.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36090
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.36-0.142-1.2216.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36091
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.061.13-4.182.246.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36092
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.930.983-3.912.156.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36093
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
-2.73-0.335-2.392.001025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50308386
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-2.78-0.242-2.532.041025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36094
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-1.41-0.0712-1.341.044.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36095
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-1.48-0.285-1.191.084.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36096
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.69-0.356-2.341.976.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36097
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.70-0.335-2.371.986.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36098
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.55-1.49-2.062.606.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36099
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.59-1.52-2.072.636.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36100
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
PDB
-2.44-0.641-1.801.796.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36101
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.45-0.705-1.741.806.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36102
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.65-0.427-2.231.946.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36103
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.62-0.548-2.071.926.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36104
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.090.0214-2.101.536.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36105
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.12-0.0498-2.081.566.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36106
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.19-0.313-4.873.816.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36107
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.19-0.335-4.853.806.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36108
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.822.24-5.062.064.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36109
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.822.03-4.852.074.8025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36110
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.27-1.21-2.082.346.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36111
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.84-0.0498-1.791.346.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36112
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.99-0.456-2.532.206.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36113
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.78-0.427-2.352.046.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.36-1.502.856.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36116
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-3.55-1.08-2.482.616.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36114
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.23-3.05-1.183.106.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36115
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.10-1.04-2.062.276.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36117
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.57-1.50-2.052.626.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.01-1.36-1.652.216.9025



Japan Science and Technology Agency





J Am Chem Soc 122: 4418-35 (2000)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.461.60-4.051.696.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.79-1.64-1.142.126.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.97-1.22-1.752.176.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.04-0.677-2.362.166.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.11-0.129-2.992.146.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.36-0.344-3.002.556.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.370.0285-3.402.476.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.360.552-3.932.396.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.360.988-4.342.316.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.590.660-3.261.976.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.601.01-3.621.916.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.581.63-4.201.836.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.571.98-4.541.766.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36098
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.42-1.96-1.462.606.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36098
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.53-1.34-2.192.596.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36098
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.61-0.773-2.862.566.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36098
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.65-0.0988-3.562.516.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.85-3.17-0.6802.936.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.33-1.552.846.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.91-1.58-2.342.776.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.95-0.859-3.102.716.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36145
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.26-2.91-1.343.236.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36145
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.32-2.03-2.303.176.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36145
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.41-1.30-3.123.126.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36145
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.42-0.410-4.013.036.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM18073
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-0.7172.14-2.870.4775.0125



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36152
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.840.313-2.151.345.0125



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36152
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-2.770.0712-2.842.0310.025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36153
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-0.884-2.351.430.6536.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36154
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
-0.573-3.202.650.4156.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36173
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
PC cid
PC sid
PDB
-1.65-2.671.031.206.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36155
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-1.77-2.560.7641.306.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36156
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
PC cid
PC sid
-1.53-2.711.171.116.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36157
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.53-2.711.171.116.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36158
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
-2.05-3.060.9791.516.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36159
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.08-2.990.8841.526.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36160
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.82-3.280.4542.076.9025



NIST





J Phys Chem 98: 10282-10288 (1994)

BDBM11
JPEG
BDBM36073
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.43-1.56-1.872.526.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36073
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.45-1.66-1.802.536.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM50111977
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.926-4.854.268.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36211
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-1.28-3.753.708.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36204
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-3.19-1.953.798.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36205
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-1.43-3.803.858.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36206
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-2.06-1.902.928.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36207
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-1.94-1.802.758.525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36208
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a2.07-7.814.207.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36209
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a1.88-7.504.157.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36210
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.534-5.304.307.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM50111977
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.862-5.404.607.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36211
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-1.46-3.613.737.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36204
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-2.36-2.513.577.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36205
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-2.06-3.103.807.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36206
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-2.24-1.903.047.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36207
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-2.54-1.802.637.2025



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM50111977
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a0.0926-7.535.484.0525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36211
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.776-5.804.854.0525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36205
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-0.178-6.214.704.0525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36206
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a0.271-5.493.854.0525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36207
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a0.235-5.023.514.0525



University of Mississippi





J Am Chem Soc 111: 6765-72 (1989)

BDBM11
JPEG
BDBM36176
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.05-1.96-1.102.246.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36176
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.09-2.16-0.9292.276.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.36-1.502.856.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.92-2.49-1.432.876.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.81-2.34-1.482.806.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.87-2.54-1.332.846.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36178
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.56-1.60-2.963.346.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36178
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.59-1.78-2.813.376.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36061
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.071.21-4.252.256.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36061
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.151.27-4.422.316.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36067
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.751.21-4.942.756.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36067
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.821.34-5.162.806.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36116
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-3.55-1.08-2.482.616.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36116
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-3.65-0.947-2.702.686.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36115
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.10-1.04-2.062.276.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36115
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.18-0.904-2.272.336.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36135
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.70-0.620-2.081.986.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36135
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.78-0.577-2.202.046.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.01-1.36-1.652.216.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36026
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.08-1.30-1.792.266.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.601.03-3.631.916.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36144
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.741.08-3.822.016.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.370.0285-3.402.476.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36143
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.490.107-3.602.566.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.89-0.356-1.531.386.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.98-0.385-1.601.456.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.520.790-3.301.856.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.610.947-3.561.916.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36165
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a0.577-5.493.617.2025



Nankai University





J Org Chem 70: 8703-11 (2005)

BDBM11
JPEG
BDBM36168
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a1.15-6.163.687.2025



Nankai University





J Org Chem 70: 8703-11 (2005)

BDBM11
JPEG
BDBM36169
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a0.883-5.493.377.2025



Nankai University





J Org Chem 70: 8703-11 (2005)

BDBM11
JPEG
BDBM36170
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a1.10-5.683.367.2025



Nankai University





J Org Chem 70: 8703-11 (2005)

BDBM11
JPEG
BDBM36168
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.021.14-6.163.697.2025



Nankai University





J Phys Chem B 107: 14130 (2003)

BDBM11
JPEG
BDBM36165
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.920.570-5.493.617.2025



Nankai University





J Phys Chem B 107: 14130 (2003)

BDBM11
JPEG
BDBM36169
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.610.883-5.493.387.2025



Nankai University





J Phys Chem B 107: 14130 (2003)

BDBM11
JPEG
BDBM36170
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.581.10-5.683.367.2025



Nankai University





J Phys Chem B 107: 14130 (2003)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.49-0.541-1.951.836.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.59-0.491-2.101.906.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.46-0.427-2.031.806.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.56-0.449-2.111.886.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.45-0.442-2.011.806.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36038
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.881.21-4.082.116.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36038
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.991.55-4.542.196.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.55-0.434-2.111.876.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36083
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.83-2.49-1.342.816.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36083
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.90-2.57-1.332.866.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 12361-71 (2002)

BDBM11
JPEG
BDBM36130
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.742.77-5.522.016.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM36131
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
PDB
-1.612.98-4.591.186.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM26983
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-0.9553.35-4.300.6996.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM36135
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.70-0.598-2.101.986.9025



Japan Science and Technology Agency





J Am Chem Soc 124: 813-26 (2002)

BDBM11
JPEG
BDBM50029034
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.64-3.15-1.493.407.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36146
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-7.33-0.320-7.015.377.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36149
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.49-1.70-2.793.297.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36147
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.333.42-6.752.447.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36150
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.030.0570-3.092.227.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36151
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.32-0.0570-2.381.707.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36148
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
PC cid
PC sid
PDB
-5.93-4.82-1.114.357.2025



Himeji Institute of Technology





J Am Chem Soc 115: 475-481 (1993)

BDBM11
JPEG
BDBM36182
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.27-3.151.890.9196.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36174
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.28-3.591.311.676.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM50240408
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-3.39-3.810.4182.486.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36181
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.640.869-2.511.206.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36183
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.700.0926-1.791.246.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36203
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.52-1.27-2.252.586.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36184
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
PC cid
PC sid
-3.60-0.783-2.812.646.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36133
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-1.461.29-2.751.086.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36134
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.190.698-2.891.616.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36185
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.150.769-2.931.586.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36186
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.51-0.548-1.961.846.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36139
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
n/an/a1.190.9036.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36140
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.48-3.080.5971.816.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36187
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-2.56-3.030.4681.886.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36142
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.58-3.10-0.4752.626.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36188
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
PDB
-1.55-2.440.8841.156.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36176
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.05-1.96-1.092.246.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36189
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.17-1.89-2.293.066.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36190
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.08-1.71-2.372.996.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36191
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.91-1.84-2.072.876.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36192
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-3.98-1.89-2.092.926.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36145
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.32-2.04-2.273.166.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36193
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.54-2.37-2.163.336.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36178
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.56-1.60-2.953.346.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36194
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.97-1.05-3.923.646.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36120
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
n/a-0.128-2.511.936.9025



Nagoya Institute of Technology





J Am Chem Soc 123: 5360-5361 (2000)

BDBM11
JPEG
BDBM36119
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
n/a0.0498-2.681.926.9025



Nagoya Institute of Technology





J Am Chem Soc 123: 5360-5361 (2000)

BDBM11
JPEG
BDBM36137
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
PDB
n/a-0.263-2.291.876.9025



Nagoya Institute of Technology





J Am Chem Soc 123: 5360-5361 (2000)

BDBM11
JPEG
BDBM36138
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
MMDB
PC cid
PC sid
n/a-0.263-2.271.856.9025



Nagoya Institute of Technology





J Am Chem Soc 123: 5360-5361 (2000)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.89-0.356-1.541.386.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-1.990.125-2.111.416.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36023
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
PDB
-2.060.669-2.711.416.9045



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.520.433-2.941.926.9014.5



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.520.805-3.311.856.9025



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM50067723
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-2.511.14-3.641.786.9035



NIH





Biophys J 71: 2144-54 (1996)

BDBM11
JPEG
BDBM36254
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.96-1.86-3.083.64n/a24.9



University of Surrey





J Am Chem Soc 112: 8442-7 (1990)

BDBM11
JPEG
BDBM36255
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-4.79n/a-4.803.51n/a24.9



University of Surrey





J Am Chem Soc 112: 8442-7 (1990)

BDBM11
JPEG
BDBM36257
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.47-1.29-4.174n/a24.9



University of Surrey





J Am Chem Soc 112: 8442-7 (1990)

BDBM11
JPEG
BDBM36258
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.51-1.41-4.114.04n/a24.9



University of Surrey





J Am Chem Soc 112: 8442-7 (1990)

BDBM11
JPEG
BDBM36259
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.712.10-6.813.465.524.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36260
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.611.10-5.713.405.524.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36261
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.020.498-5.493.682.6024.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36262
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.611.50-6.093.406.524.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36259
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.391.70-6.093.20n/a24.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36259
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.301.50-5.803.14n/a24.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36259
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.110.996-5.113.00n/a24.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM36259
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-3.890.996-4.902.85n/a24.9



University of Miami





J Phys Chem 99: 17449-55 (1995)

BDBM11
JPEG
BDBM50216627
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
DrugBank
KEGG
PC cid
PC sid
PDB
-6.300.521-6.834.55730.1



Universidade de Santiago de Compostela





J Phys Chem B 109: 9719-26 (2005)

BDBM11
JPEG
BDBM36249
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-7.140.311-7.485.15730.1



Universidade de Santiago de Compostela





J Phys Chem B 109: 9719-26 (2005)

BDBM11
JPEG
BDBM36251
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.930.968-5.903.627.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM11
JPEG
BDBM36253
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-5.06-0.150-4.913.717.2025



Nankai University





J Phys Chem B 112: 1445-50 (2008)

BDBM11
JPEG
BDBM50060582
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
DrugBank
KEGG
PC cid
PC sid
PDB
-3.01-1.88-1.122.14n/a35.1



Lund University





J Phys Chem B 112: 11310-6 (2008)

BDBM11
JPEG
BDBM50060533
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.63-2.32-2.323.29n/a35.1



Lund University





J Phys Chem B 112: 11310-6 (2008)

BDBM11
JPEG
BDBM36244
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
n/a-1.03-3.103.08725



Doshisha University





J Org Chem 70: 3667-73 (2005)

BDBM11
JPEG
BDBM36178
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.59-1.82-2.773.377.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36176
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-3.03-2.10-0.9312.237.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM5
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
-3.88-2.44-1.452.857.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36194
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-4.97-1.22-3.753.657.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36263
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
MMDB
PC cid
PC sid
PDB
-5.34-2.04-3.303.927.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36264
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
DrugBank
MMDB
PC cid
PC sid
-5.040.655-5.693.707.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36265
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.82-0.840-4.984.277.2025



Nankai University





J Org Chem 69: 173-80 (2004)

BDBM11
JPEG
BDBM36266
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
CHEBI
PC cid
PC sid
-5.86-0.320-5.534.307.2025



Nankai University





J Org Chem 69: 173-80 (2004)