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Target
Caspase-3
Ligand
BDBM10345
Substrate
Caspase Fluorogenic Substrate
Meas. Tech.
Caspase Inhibition Assay
IC50
10.9±n/a nM
Citation
 Chu, W; Zhang, J; Zeng, C; Rothfuss, J; Tu, Z; Chu, Y; Reichert, DE; Welch, MJ; Mach, RH N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies. J Med Chem 48:7637-47 (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:
BDBM10345
Synonyms:
(S)-1-(6-Fluoropyridin-3-ylmethyl)-5-(2-phenoxymethyl-azetidine1-sulfonyl)-1H-indole-2,3-dione | 1-[(6-fluoropyridin-3-yl)methyl]-5-{[(2S)-2-(phenoxymethyl)azetidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione | Azetidine Isatin Analogue 18g
Type:
Small organic molecule
Emp. Form.:
C24H20FN3O5S
Mol. Mass.:
481.496
SMILES:
Fc1ccc(CN2C(=O)C(=O)c3cc(ccc23)S(=O)(=O)N2CC[C@H]2COc2ccccc2)cn1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase Fluorogenic Substrate
Synonyms:
Ac-DEVD-AMC | Caspase Fluorogenic Substrate
Type:
Peptide
Mol. Mass.:
1461.77
Organism:
n/a
Description:
AMC=7-Amino-4-methylcoumarin
Residue:
16
Sequence:
ACASPGLVALASPAMC