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TargetThrombin and coagulation factor X
LigandBDBM14071
Substrate/CompetitorBDBM14064
Meas. Tech.Enzyme Inhibition Assay
pH7.4±n/a
Temperature310.15±n/a K
Ki 0.2±0.04 nM
IC50 3.5±0.5 nM
Citation Costanzo, MJAlmond, HRHecker, LRSchott, MRYabut, SCZhang, HCAndrade-Gordon, PCorcoran, TWGiardino, ECKauffman, JALewis, JMde Garavilla, LHaertlein, BJMaryanoff, BE In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design. J Med Chem48:1984-2008 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Thrombin and coagulation factor X
Name:Thrombin and coagulation factor X
Synonyms:Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:Protein
Mol. Mass.:70029.57
Organism:Homo sapiens (Human)
Description:P00734
Residue:622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC
VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV
NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE
CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA
QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG
DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI
DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN
DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP
VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST
RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY
GFYTHVFRLKKWIQKVIDQFGE
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BDBM14071
NameBDBM14071
Synonyms:(2S)-1-(2-amino-2-benzylpropanoyl)-N-[1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]pyrrolidine-2-carboxamide | 2-ketobenzothiazole 11
TypeSmall organic molecule
Emp. Form.C28H35N7O3S
Mol. Mass.549.688
SMILES[#6]C([#7])([#6]-c1ccccc1)[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nc2ccccc2s1 |r|
Structure
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BDBM14064
NameBDBM14064
Synonyms:(2S)-2-[(2S)-2-[(2R)-2-amino-3-(4-hydroxycyclohexyl)propanamido]propanamido]-5-carbamimidamido-N-(4-nitrophenyl)pentanamide; bis(acetic acid) | H-D-HHT-Ala-Arg-pNA.2AcOH | Spectozyme TH
TypeSmall organic molecule
Emp. Form.C24H38N8O6
Mol. Mass.534.6085
SMILESCC(NC(=O)C(N)CC1CCC(O)CC1)C(=O)NC(CCC\[NH+]=C(\N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(-2.35,2.49,;-1.58,3.83,;-2.35,5.16,;-3.89,5.16,;-4.66,6.49,;-4.66,3.83,;-6.2,3.83,;-3.88,2.49,;-4.65,1.16,;-6.2,1.16,;-6.97,-.17,;-6.2,-1.51,;-6.97,-2.84,;-4.65,-1.51,;-3.88,-.17,;-.04,3.83,;.73,5.16,;.73,2.49,;2.27,2.49,;3.04,1.16,;2.27,-.17,;3.04,-1.51,;2.27,-2.84,;3.04,-4.18,;2.27,-5.51,;4.58,-4.18,;3.04,3.83,;2.27,5.16,;4.58,3.83,;5.35,5.16,;4.58,6.49,;5.35,7.83,;6.9,7.83,;7.67,6.49,;6.9,5.16,;7.67,9.16,;9.21,9.16,;6.9,10.49,)|
Structure
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