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BDBM23263 (3R,4R)-3-N-(diphenylmethyl)-1-{[4-(4-{[(3S,4S)-3-[(diphenylmethyl)carbamoyl]-4-[(2-phenylethyl)carbamoyl]pyrrolidin-1-yl]carbonyl}phenyl)phenyl]carbonyl}-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide::TransPyr1-A1B6C6

SMILES: O=C(NCCc1ccccc1)[C@H]1CN(C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=GBAWCFICERFORA-PFLBOCSKNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23263   
Target/Host
(Institution)
LigandTarget/Host
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
Botulinum Neurotoxin Type A


(Clostridium botulinum)
BDBM23263
PNG
((3R,4R)-3-N-(diphenylmethyl)-1-{[4-(4-{[(3S,4S)-3-...)
Show SMILES O=C(NCCc1ccccc1)[C@H]1CN(C[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NCCc1ccccc1
Show InChI InChI=1/C68H64N6O6/c75-63(69-41-39-47-19-7-1-8-20-47)57-43-73(45-59(57)65(77)71-61(51-23-11-3-12-24-51)52-25-13-4-14-26-52)67(79)55-35-31-49(32-36-55)50-33-37-56(38-34-50)68(80)74-44-58(64(76)70-42-40-48-21-9-2-10-22-48)60(46-74)66(78)72-62(53-27-15-5-16-28-53)54-29-17-6-18-30-54/h1-38,57-62H,39-46H2,(H,69,75)(H,70,76)(H,71,77)(H,72,78)/t57-,58+,59-,60+
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.42E+4n/an/an/an/a7.423



The Scripps Research Institute



Assay Description
Recombinant BoNT LC/A activity was measured in black 96-well microtiter plates by use of a Molecular Devices (Sunnyvale, CA) SpectraMax GeminiEM plat...


Proc Natl Acad Sci U S A 104: 2602-7 (2007)


Article DOI: 10.1073/pnas.0611213104
BindingDB Entry DOI: 10.7270/Q28050WN
More data for this
Ligand-Target Pair