Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50071722
Substrate
n/a
Meas. Tech.
ChEBML_208312
Ki
6.6±n/a nM
Citation
 Lee, K; Jung, WH; Park, CW; Hong, CY; Kim, IC; Kim, S; Oh, YS; Kwon, OH; Lee, SH; Park, HD; Kim, SW; Lee, YH; Yoo, YJ Benzylamine-based selective and orally bioavailable inhibitors of thrombin. Bioorg Med Chem Lett 8:2563-8 (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:
BDBM50071722
Synonyms:
(S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-2-(6-methoxy-naphthalene-2-sulfonylamino)-N-methyl-propionamide | CHEMBL424052
Type:
Small organic molecule
Emp. Form.:
C27H33N3O4S
Mol. Mass.:
495.634
SMILES:
COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@@H](Cc1ccc(CN)cc1)C(=O)N(C)C1CCCC1
Structure:
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