Reaction Details Report a problem with these data
Target
Caspase-3
Ligand
BDBM10323
Substrate
n/a
Meas. Tech.
ChEMBL_842368 (CHEMBL2091985)
IC50
12.3±n/a nM
Citation
 Hasegawa, K; Funatsu, K New description of protein-ligand interactions using a spherical self-organizing map. Bioorg Med Chem 20:5410-5 (2012) [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:
BDBM10323
Synonyms:
(S)-1-Benzyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin | 1-benzyl-5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | CHEMBL439753 | IST-3 | Isatin Sulfonamide 34 | JMC522188 Compound 2 | Pyrrolidine Isatin Analogue 2
Type:
Small organic molecule
Emp. Form.:
C26H24N2O5S
Mol. Mass.:
476.544
SMILES:
O=C1N(Cc2ccccc2)c2ccc(cc2C1=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: