Reaction Details Report a problem with these data
Target
Chymotrypsinogen A
Ligand
BDBM222119
Substrate
n/a
Meas. Tech.
α-Chymotrypsin Inhibition Assay
pH
7.6±n/a
IC50
2.01e+4± 1.3e+3 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:
BDBM222119
Synonyms:
2-(4-Methylphenyl)-4H-3,1-benzoxazin-4-one (7)
Type:
Small organic molecule
Emp. Form.:
C15H11NO2
Mol. Mass.:
237.2533
SMILES:
Cc1ccc(cc1)-c1nc2ccccc2c(=O)o1
Structure:
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