Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM50149205
Substrate
n/a
Meas. Tech.
ChEMBL_46677 (CHEMBL658635)
Ki
2800±n/a nM
Citation
 Erlanson, DA; McDowell, RS; O'Brien, T Fragment-based drug discovery. J Med Chem 47:3463-82 (2004) [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:
BDBM50149205
Synonyms:
5-[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pentylsulfamoyl]-2-hydroxy-benzoic acid | CHEMBL117572
Type:
Small organic molecule
Emp. Form.:
C16H20N2O9S
Mol. Mass.:
416.403
SMILES:
OC(=O)[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O
Structure:
Search PDB for entries with ligand similarity: