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Target
Caspase-3
Ligand
BDBM50191906
Substrate
n/a
Meas. Tech.
ChEMBL_399986 (CHEMBL910860)
IC50
>10000±n/a nM
Citation
 Ellis, CD; Oppong, KA; Laufersweiler, MC; O'Neil, SV; Soper, DL; Wang, Y; Wos, JA; Fancher, AN; Lu, W; Suchanek, MK; Wang, RL; De, B; Demuth, TP Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors. Bioorg Med Chem Lett 16:4728-32 (2006) [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:
BDBM50191906
Synonyms:
CHEMBL215512 | N-((R)-4-(2-((S)-2-hydroxy-5-oxo-tetrahydrofuran-3ylamino)-2-oxoethyl)-1,1-dioxido-5-oxo-1,4-thiazepan-6-yl)-2-naphthamide
Type:
Small organic molecule
Emp. Form.:
C22H23N3O8S
Mol. Mass.:
489.498
SMILES:
OC1OC(=O)C[C@@H]1NC(=O)CN1CCS(=O)(=O)C[C@H](NC(=O)c2ccc3ccccc3c2)C1=O
Structure:
Search PDB for entries with ligand similarity: