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Target
Prothrombin
Ligand
BDBM50235524
Substrate
n/a
Meas. Tech.
ChEMBL_462712 (CHEMBL929685)
IC50
>44400±n/a nM
Citation
 Hanessian, S; Simard, D; Bayrakdarian, M; Therrien, E; Nilsson, I; Fjellström, O Design, synthesis, and thrombin-inhibitory activity of pyridin-2-ones as P2/P3 core motifs. Bioorg Med Chem Lett 18:1972-6 (2008) [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:
BDBM50235524
Synonyms:
CHEMBL540635 | N-((6-aminopyridin-3-yl)methyl)-2-(1-(4-(2,5-dimethylthiophen-3-yl)phenylsulfonamido)-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide hydrochloride
Type:
Small organic molecule
Emp. Form.:
C26H27N5O4S2
Mol. Mass.:
537.654
SMILES:
Cc1cc(c(C)s1)-c1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(N)nc2)c1=O
Structure:
Search PDB for entries with ligand similarity: