Reaction Details 
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Prothrombin
Ligand
BDBM50164257
Substrate
n/a
Meas. Tech.
ChEMBL_302313 (CHEMBL828902)
Ki
3.2±n/a nM
Citation
Stauffer, KJ; Williams, PD; Selnick, HG; Nantermet, PG; Newton, CL; Homnick, CF; Zrada, MM; Lewis, SD; Lucas, BJ; Krueger, JA; Pietrak, BL; Lyle, EA; Singh, R; Miller-Stein, C; White, RB; Wong, B; Wallace, AA; Sitko, GR; Cook, JJ; Holahan, MA; Stranieri-Michener, M; Leonard, YM; Lynch, JJ; McMasters, DR; Yan, Y 9-hydroxyazafluorenes and their use in thrombin inhibitors. J Med Chem 48:2282-93 (2005) [PubMed] ArticleMore Info.:
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:
BDBM50164257
Synonyms:
(S)-1-(9-Hydroxy-9H-indeno[2,1-c]pyridine-9-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide | CHEMBL372036
Type:
Small organic molecule
Emp. Form.:
C26H25ClN4O3
Mol. Mass.:
476.955
SMILES:
NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2ccccc2-c2ccncc12
Structure:
