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Target
Caspase-3
Ligand
BDBM50119260
Substrate
n/a
Meas. Tech.
ChEMBL_46674 (CHEMBL658632)
IC50
207±n/a nM
Citation
 Linton, SD; Karanewsky, DS; Ternansky, RJ; Chen, N; Guo, X; Jahangiri, KG; Kalish, VJ; Meduna, SP; Robinson, ED; Ullman, BR; Wu, JC; Pham, B; Kodandapani, L; Smidt, R; Diaz, JL; Fritz, LC; von Krosigk, U; Roggo, S; Schmitz, A; Tomaselli, KJ Acyl dipeptides as reversible caspase inhibitors. Part 2: further optimization. Bioorg Med Chem Lett 12:2973-5 (2002) [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:
BDBM50119260
Synonyms:
CHEMBL100559 | N-(2-Hydroxy-5-oxo-tetrahydro-furan-3-yl)-2-[2-(5-trifluoromethanesulfonylamino-naphthalen-1-yloxy)-acetylamino]-butyramide
Type:
Small organic molecule
Emp. Form.:
C22H24F3N3O8S
Mol. Mass.:
547.501
SMILES:
CC(C)C(NC(=O)COc1cccc2c(NS(=O)(=O)C(F)(F)F)cccc12)C(=O)N[C@H]1CC(=O)OC1O
Structure:
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