Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50071729
Substrate
n/a
Meas. Tech.
ChEBML_208312
Ki
3.1±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:
BDBM50071729
Synonyms:
CHEMBL313826 | Naphthalene-2-sulfonic acid [(S)-1-(4-aminomethyl-benzyl)-2-oxo-2-piperidin-1-yl-ethyl]-amide
Type:
Small organic molecule
Emp. Form.:
C25H29N3O3S
Mol. Mass.:
451.581
SMILES:
NCc1ccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
Structure:
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