Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50287591
Substrate
n/a
Meas. Tech.
ChEMBL_216624 (CHEMBL819196)
pH
7.8±n/a
Ki
6440000±n/a nM
Comments
extracted
Citation
 Ohba, T; Ikeda, E; Takei, H Inactivation of serine protease, α-chymotrypsin by fluorinated phenylalanine analogues Bioorg Med Chem Lett 6:1875-1880 (1996)    Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
Beta-chymotrypsin | CTRB | CTRB1 | CTRB1_HUMAN | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B | Synonyms=CTRB
Type:
PROTEIN
Mol. Mass.:
27713.98
Organism:
Homo sapiens (Human)
Description:
ChEMBL_10909
Residue:
263
Sequence:
MASLWLLSCFSLVGAAFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50287591
Synonyms:
(S)-3-Acetylamino-2-fluoro-4-phenyl-butyric acid methyl ester | CHEMBL56759
Type:
Small organic molecule
Emp. Form.:
C13H16FNO3
Mol. Mass.:
253.2694
SMILES:
COC(=O)C(F)[C@H](Cc1ccccc1)NC(C)=O
Structure:
Search PDB for entries with ligand similarity: