Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50024093
Substrate
n/a
Meas. Tech.
ChEMBL_216619 (CHEMBL819191)
Ki
55000±n/a nM
Citation
 Sofia, MJ; Katzenellenbogen, JA Enol lactone inhibitors of serine proteases. The effect of regiochemistry on the inactivation behavior of phenyl-substituted (halomethylene)tetra- and -dihydrofuranones and (halomethylene)tetrahydropyranones toward alpha-chymotrypsin: stable acyl enzyme intermediate. J Med Chem 29:230-8 (1986) [PubMed]  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:
BDBM50024093
Synonyms:
6-Iodomethylene-5-phenyl-tetrahydro-pyran-2-one | CHEMBL310682
Type:
Small organic molecule
Emp. Form.:
C12H11IO2
Mol. Mass.:
314.119
SMILES:
I\C=C1\OC(=O)CCC1c1ccccc1
Structure:
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