Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10217
Substrate
Caspase-3 (7) Fluorogenic Substrate
Meas. Tech.
Enzyme Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
133000±15000 nM
Citation
 Fattorusso, R; Jung, D; Crowell, KJ; Forino, M; Pellecchia, M Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach. J Med Chem 48:1649-56 (2005) [PubMed]  Article 
Target
Name:
Caspase-3
Synonyms:
Apopain | CASP-3 | CASP3 | CASP3_HUMAN | CPP-32 | CPP32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM10217
Synonyms:
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide | BI-9C8 | Burnham Institute Compound 3
Type:
Small organic molecule
Emp. Form.:
C17H14N2O4S
Mol. Mass.:
342.369
SMILES:
O=C(NCc1ccco1)c1csc(n1)C1COc2ccccc2O1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-3 (7) Fluorogenic Substrate
Synonyms:
n/a
Type:
n/a
Mol. Mass.:
1477.75
Organism:
n/a
Description:
AFC = 7-Amino-4-trifluoromethylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAFC