Target
Prothrombin
Ligand
BDBM32658
Substrate
BDBM23868
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
100±39 nM
Citation
 Baum, BMuley, LHeine, ASmolinski, MHangauer, DKlebe, G Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. J Mol Biol 391:552-64 (2009) [PubMed]  Article
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM32658
Synonyms:
m-chlorobenzylamide, 7
Type:
Small organic molecule
Emp. Form.:
C21H30ClN3O2
Mol. Mass.:
391.935
SMILES:
N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1 |r|
Structure:
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Substrate
Name:
BDBM23868
Synonyms:
(2S)-5-carbamimidamido-2-{2-[(2R)-3-(4-hydroxycyclohexyl)-2-methanesulfonamidopropanamido]acetamido}-N-(4-nitrophenyl)pentanamide | N-Methylsulfonyl-D-hexahydrotyrosyl-glycyl-L-arginine-4-nitroanilide | Pefachrome tPA
Type:
chromogenic substrate
Emp. Form.:
C24H38N8O8S
Mol. Mass.:
598.672
SMILES:
CS(=O)(=O)NC(CC1CCC(O)CC1)C(=O)NCC(=O)NC(CCC\[NH+]=C(/N)[NH-])C(=O)Nc1ccc(cc1)[N+]([O-])=O |(26.51,-19.37,;25.18,-18.6,;24.41,-19.93,;25.95,-17.27,;23.84,-17.83,;22.51,-18.6,;21.18,-17.83,;21.18,-16.29,;22.51,-15.52,;22.51,-13.98,;21.18,-13.21,;21.18,-11.67,;19.84,-13.98,;19.84,-15.52,;22.51,-20.14,;23.84,-20.91,;21.18,-20.91,;21.18,-22.45,;19.84,-23.22,;18.51,-22.45,;19.84,-24.76,;18.51,-25.53,;17.18,-24.76,;17.18,-23.22,;15.84,-22.45,;15.84,-20.91,;14.51,-20.14,;13.17,-20.91,;14.51,-18.6,;18.51,-27.07,;19.84,-27.84,;17.18,-27.84,;17.18,-29.38,;18.51,-30.15,;18.51,-31.69,;17.18,-32.46,;15.84,-31.69,;15.84,-30.15,;17.18,-34,;15.84,-34.77,;18.51,-34.77,)|
Structure:
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