Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50079632
Substrate
n/a
Meas. Tech.
ChEBML_207983
IC50
70000±n/a nM
Citation
 Li, M; Lin, Z; Johnson, ME Structure-based design and synthesis of novel thrombin inhibitors based on phosphinic peptide mimetics. Bioorg Med Chem Lett 9:1957-62 (1999) [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:
BDBM50079632
Synonyms:
[(S)-1-((R)-2-Benzyloxycarbonylamino-3-naphthalen-2-yl-propionylamino)-2-(4-methoxy-phenyl)-ethyl]-phenyl-phosphinic acid anion
Type:
Small organic molecule
Emp. Form.:
C36H34N2O6P
Mol. Mass.:
621.6393
SMILES:
COc1ccc(CC(NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)OCc2ccccc2)=P(O)([O-])c2ccccc2)cc1
Structure:
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