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Target
Prothrombin
Ligand
BDBM50122184
Substrate
n/a
Meas. Tech.
ChEMBL_208532 (CHEMBL813626)
Ki
7±n/a nM
Citation
 Young, MB; Barrow, JC; Glass, KL; Lundell, GF; Newton, CL; Pellicore, JM; Rittle, KE; Selnick, HG; Stauffer, KJ; Vacca, JP; Williams, PD; Bohn, D; Clayton, FC; Cook, JJ; Krueger, JA; Kuo, LC; Lewis, SD; Lucas, BJ; McMasters, DR; Miller-Stein, C; Pietrak, BL; Wallace, AA; White, RB; Wong, B; Yan, Y; Nantermet, PG Discovery and evaluation of potent P1 aryl heterocycle-based thrombin inhibitors. J Med Chem 47:2995-3008 (2004) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50122184
Synonyms:
CHEMBL296041 | N-(3-Chloro-benzyl)-2-(6-methyl-2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
Type:
Small organic molecule
Emp. Form.:
C22H22ClN3O4S
Mol. Mass.:
459.946
SMILES:
Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1cccc(Cl)c1
Structure:
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