Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-3
LigandBDBM50002744
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1339380 (CHEMBL3243714)
IC50 61±n/a nM
Citation Wu, LLu, MYan, ZTang, XSun, BLiu, WZhou, HYang, C 1,2-benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors. Bioorg Med Chem22:2416-26 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-3
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:
MENTENSVDSKSIKNLEPKIIHGSESMDSGISLDNSYKMDYPEMGLCIIINNKNFHKSTG
MTSRSGTDVDAANLRETFRNLKYEVRNKNDLTREEIVELMRDVSKEDHSKRSSFVCVLLS
HGEEGIIFGTNGPVDLKKITNFFRGDRCRSLTGKPKLFIIQACRGTELDCGIETDSGVDD
DMACHKIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVN
RKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50002744
n/a
NameBDBM50002744
Synonyms:CHEMBL3233642
TypeSmall organic molecule
Emp. Form.C19H20N4O4S2
Mol. Mass.432.516
SMILESCN1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)n2sc3ccccc3c2=O)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: