Target
Prothrombin
Ligand
BDBM50177435
Substrate
n/a
Meas. Tech.
ChEMBL_334615 (CHEMBL862522)
IC50
15000±n/a nM
Citation
 Hanessian, STherrien, Evan Otterlo, WABayrakdarian, MNilsson, IFjellström, OXue, Y Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure. Bioorg Med Chem Lett 16:1032-6 (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:
BDBM50177435
Synonyms:
2-(3-((3-chlorophenylsulfonyl)methylamino)-2-hydroxy-6-methylphenyl)-N-((3-fluoro-4-methylpyridin-2-yl)methyl)acetamide | CHEMBL381141
Type:
Small organic molecule
Emp. Form.:
C23H23ClFN3O4S
Mol. Mass.:
491.963
SMILES:
Cc1ccnc(CNC(=O)Cc2c(C)ccc(NCS(=O)(=O)c3cccc(Cl)c3)c2O)c1F
Structure:
Search PDB for entries with ligand similarity: