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Target
Prothrombin
Ligand
BDBM50126297
Substrate
n/a
Meas. Tech.
ChEBML_208518
Ki
1.2±n/a nM
Citation
 Burgey, CS; Robinson, KA; Lyle, TA; Nantermet, PG; Selnick, HG; Isaacs, RC; Lewis, SD; Lucas, BJ; Krueger, JA; Singh, R; Miller-Stein, C; White, RB; Wong, B; Lyle, EA; Stranieri, MT; Cook, JJ; McMasters, DR; Pellicore, JM; Pal, S; Wallace, AA; Clayton, FC; Bohn, D; Welsh, DC; Lynch, JJ; Yan, Y; Chen, Z; Kuo, L; Gardell, SJ; Shafer, JA; Vacca, JP Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. Implementation of P3 pyridine N-oxides to deliver an orally bioavailable series containing P1 N-benzylamides. Bioorg Med Chem Lett 13:1353-7 (2003) [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:
BDBM50126297
Synonyms:
2-{6-Chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)-ethylamino]-2-oxo-2H-pyrazin-1-yl}-N-(3-methoxy-benzyl)-acetamide | CHEMBL26213
Type:
Small organic molecule
Emp. Form.:
C21H20ClF2N5O4
Mol. Mass.:
479.864
SMILES:
COc1cccc(CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3cccc[n+]3[O-])c2=O)c1
Structure:
Search PDB for entries with ligand similarity: