Target
Prothrombin
Ligand
BDBM50177415
Substrate
n/a
Meas. Tech.
ChEMBL_334615 (CHEMBL862522)
IC50
1000±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:
BDBM50177415
Synonyms:
CHEMBL537421 | N-((2-aminopyridin-4-yl)methyl)-2-(3-(2,5-dichlorophenylsulfonamido)-2-hydroxy-6-methylphenyl)acetamide hydrochloride
Type:
Small organic molecule
Emp. Form.:
C21H20Cl2N4O4S
Mol. Mass.:
495.379
SMILES:
Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(O)c1CC(=O)NCc1ccnc(N)c1
Structure:
Search PDB for entries with ligand similarity: