Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50462115
Substrate
n/a
Meas. Tech.
ChEMBL_1772760 (CHEMBL4229752)
Ki
107±n/a nM
Citation
 Ramesh, R; Reddy, DS Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds. J Med Chem 61:3779-3798 (2018) [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:
BDBM50462115
Synonyms:
CHEMBL2311598
Type:
Small organic molecule
Emp. Form.:
C17H27N3O4Si
Mol. Mass.:
365.4995
SMILES:
[#6]-[#6@H](-[#6][Si;v4]([#8])([#8])[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6](-[#7])=O |r|
Structure:
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