Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM50106305
Substrate
n/a
Meas. Tech.
α-Chymotrypsin Inhibition Assay
pH
7.6±n/a
IC50
>5.00e+5±n/a nM
Comments
extracted
Citation
 Marasini, BP; Rahim, F; Perveen, S; Karim, A; Mohammed Khan, K; Atta-Ur-Rahman, null; Choudhary, MI Synthesis, structure-activity relationships studies of benzoxazinone derivatives as a-chymotrypsin inhibitors. Bioorg Chem 70:210-221 (2017) [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:
BDBM50106305
Synonyms:
2-Phenyl-3H-quinazolin-4-one | 2-phenyl-3,4-dihydroquinazolin-4-one (29) | CHEMBL127066
Type:
Small organic molecule
Emp. Form.:
C14H10N2O
Mol. Mass.:
222.242
SMILES:
O=c1[nH]c(nc2ccccc12)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: