Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50337452
Substrate
n/a
Meas. Tech.
ChEMBL_728384 (CHEMBL1685160)
Ki
0.015±n/a nM
Citation
 Isaacs, RC; Newton, CL; Cutrona, KJ; Mercer, SP; Dorsey, BD; McDonough, CM; Cook, JJ; Krueger, JA; Lewis, SD; Lucas, BJ; Lyle, EA; Lynch, JJ; Miller-Stein, C; Michener, MT; Wallace, AA; White, RB; Wong, BK P3 optimization of functional potency, in vivo efficacy and oral bioavailability in 3-aminopyrazinone thrombin inhibitors bearing non-charged groups at the P1 position. Bioorg Med Chem Lett 21:1532-5 (2011) [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:
BDBM50337452
Synonyms:
2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-cyclopropylacetamide | CHEMBL1682691
Type:
Small organic molecule
Emp. Form.:
C26H29ClN6O4
Mol. Mass.:
524.999
SMILES:
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
Structure:
Search PDB for entries with ligand similarity: