Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM13780
Substrate
BDBM12679
Meas. Tech.
Enzyme Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
>150000±n/a nM
Citation
Rai, R; Kolesnikov, A; Sprengeler, PA; Torkelson, S; Ton, T; Katz, BA; Yu, C; Hendrix, J; Shrader, WD; Stephens, R; Cabuslay, R; Sanford, E; Young, WB Discovery of novel heterocyclic factor VIIa inhibitors. Bioorg Med Chem Lett 16:2270-3 (2006) [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:
BDBM13780
Synonyms:
2-(3-{5-amino-1H-imidazo[4,5-b]pyridin-2-yl}-4-hydroxy-5-(3-nitrophenyl)phenyl)acetic acid | imidazopyridine analog 4
Type:
Small organic molecule
Emp. Form.:
C20H15N5O5
Mol. Mass.:
405.3636
SMILES:
Nc1ccc2[nH]c(nc2n1)-c1cc(CC(O)=O)cc(-c2cccc(c2)[N+]([O-])=O)c1O