Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM50200934
Substrate
n/a
Meas. Tech.
ChEMBL_423899 (CHEMBL913573)
Ki
1000±n/a nM
Citation
 Henzing, AJ; Dodson, H; Reid, JM; Kaufmann, SH; Baxter, RL; Earnshaw, WC Synthesis of novel caspase inhibitors for characterization of the active caspase proteome in vitro and in vivo. J Med Chem 49:7636-45 (2006) [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:
BDBM50200934
Synonyms:
2,6-dimethyl-benzoic acid (S)-3-[(S)-2-((S)-2-benzyloxycarbonylamino-4-carboxy-butyrylamino)-6-(2,4-dinitro-phenylamino)-hexanoylamino]-4-carboxy-2-oxo-butyl ester | CHEMBL267994
Type:
Small organic molecule
Emp. Form.:
C39H44N6O15
Mol. Mass.:
836.7979
SMILES:
Cc1cccc(C)c1C(=O)OCC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: