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Target
Prothrombin
Ligand
BDBM50147789
Substrate
n/a
Meas. Tech.
ChEMBL_208532 (CHEMBL813626)
Ki
1.1±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:
BDBM50147789
Synonyms:
2-{3-[2,2-Difluoro-2-(1-oxy-pyridin-2-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-N-(2-tetrazol-1-yl-benzyl)-acetamide | CHEMBL441463
Type:
Small organic molecule
Emp. Form.:
C21H19F2N9O3
Mol. Mass.:
483.4309
SMILES:
[O-][n+]1ccccc1C(F)(F)CNc1nccn(CC(=O)NCc2ccccc2-n2cnnn2)c1=O
Structure:
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