Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50147799
Substrate
n/a
Meas. Tech.
ChEMBL_208532 (CHEMBL813626)
Ki
0.33±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:
BDBM50147799
Synonyms:
2-[(S)-1-((R)-2-Amino-3-phenyl-propionyl)-pyrrolidin-2-yl]-N-(5-chloro-2-tetrazol-1-yl-benzyl)-acetamide | CHEMBL102978
Type:
Small organic molecule
Emp. Form.:
C23H26ClN7O2
Mol. Mass.:
467.951
SMILES:
N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1
Structure:
Search PDB for entries with ligand similarity: