Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50442075
Substrate
n/a
Meas. Tech.
ChEMBL_992742 (CHEMBL2443644)
Ki
>250000±n/a nM
Citation
 de Candia, M; Fiorella, F; Lopopolo, G; Carotti, A; Romano, MR; Lograno, MD; Martel, S; Carrupt, PA; Belviso, BD; Caliandro, R; Altomare, C Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity. J Med Chem 56:8696-711 (2013) [PubMed]  Article 
Target
Name:
Chymotrypsinogen A
Synonyms:
Alpha-chymotrypsin | CTRA_BOVIN | Chymotrypsin A | Chymotrypsin A chain A | Chymotrypsin A chain B | Chymotrypsin A chain C | Chymotrypsinogen A | alpha-Chymotrypsin (α-Chymotrypsin)
Type:
Serine protease
Mol. Mass.:
25670.88
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
245
Sequence:
CGVPAIQPVLSGLSRIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTNANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
  
Inhibitor
Name:
BDBM50442075
Synonyms:
CHEMBL2441047
Type:
Small organic molecule
Emp. Form.:
C25H27N3O4S
Mol. Mass.:
465.565
SMILES:
CS(=O)(=O)c1ccc(COc2cccc(NC(=O)C3CCN(CC3)c3ccncc3)c2)cc1
Structure:
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