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Target
Prothrombin
Ligand
BDBM50122191
Substrate
n/a
Meas. Tech.
ChEBML_208491
Ki
2100±n/a nM
Citation
 Sanderson, PE; Cutrona, KJ; Dyer, DL; Krueger, JA; Kuo, LC; Lewis, SD; Lucas, BJ; Yan, Y Small, low nanomolar, noncovalent thrombin inhibitors lacking a group to fill the 'distal binding pocket'. Bioorg Med Chem Lett 13:161-4 (2002) [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:
BDBM50122191
Synonyms:
2-(2-{[2-(3-Amino-6-methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-acetylamino]-methyl}-4-chloro-phenoxy)-N,N-dimethyl-acetamide | CHEMBL42496
Type:
Small organic molecule
Emp. Form.:
C20H22ClF3N4O4
Mol. Mass.:
474.861
SMILES:
CN(C)C(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cc(c(N)c1=O)C(F)(F)F
Structure:
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