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Target
Caspase-3
Ligand
BDBM10321
Substrate
n/a
Meas. Tech.
ChEMBL_582859 (CHEMBL1061695)
IC50
5±n/a nM
Citation
 Lakshmi, PJ; Kumar, BV; Nayana, RS; Mohan, MS; Bolligarla, R; Das, SK; Bhanu, MU; Kondapi, AK; Ravikumar, M Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. Bioorg Med Chem 17:6040-7 (2009) [PubMed]  Article 
Target
Name:
Caspase-3
Synonyms:
CPP-32 | Caspase 3 | Caspase-3 subunit p12 | Caspase-3 subunit p17 | Cysteine protease CPP32 | Apopain | CASP-3 | SCA-1 | SREBP cleavage activity 1 | Yama protein | caspase-3 preproprotein | CASP3_HUMAN | CASP3 | CPP32
Type:
Hydrolase; heterotetramer of two heterodimers
Mol. Mass.:
31607.55
Organism:
Human
Description:
n/a
Residue:
277
Sequence:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTGMTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLSHGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDDDMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
  
Inhibitor
Name:
BDBM10321
Synonyms:
(S)-1-Allyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-1-(prop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione | Isatin Sulfonamide 32
Type:
Small organic molecule
Emp. Form.:
C22H22N2O5S
Mol. Mass.:
426.12
SMILES:
C=CCN1C(=O)C(=O)c2cc(ccc12)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Structure:
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