Reaction Details Report a problem with these data
Target
Caspase-4
Ligand
BDBM166683
Substrate
n/a
Meas. Tech.
ChEMBL_1622626 (CHEMBL3864978)
Ki
337±n/a nM
Citation
 Kent, CR; Bryja, M; Gustafson, HA; Kawarski, MY; Lenti, G; Pierce, EN; Knopp, RC; Ceja, V; Pati, B; Walters, DE; Karver, CE Variation of the aryl substituent on the piperazine ring within the 4-(piperazin-1-yl)-2,6-di(pyrrolidin-1-yl)pyrimidine scaffold unveils potent, non-competitive inhibitors of the inflammatory caspases. Bioorg Med Chem Lett 26:5476-5480 (2016) [PubMed]  Article 
Target
Name:
Caspase-4
Synonyms:
CASP-4 | CASP4 | CASP4_HUMAN | Caspase 4 | Caspase-4 subunit 1 | Caspase-4 subunit 2 | ICE(rel)-II | ICH-2 protease | ICH2 | TX protease
Type:
Enzyme
Mol. Mass.:
43257.75
Organism:
Homo sapiens (Human)
Description:
P49662
Residue:
377
Sequence:
MAEGNHRKKPLKVLESLGKDFLTGVLDNLVEQNVLNWKEEEKKKYYDAKTEDKVRVMADSMQEKQRMAGQMLLQTFFNIDQISPNKKAHPNMEAGPPESGESTDALKLCPHEEFLRLCKERAEEIYPIKERNNRTRLALIICNTEFDHLPPRNGADFDITGMKELLEGLDYSVDVEENLTARDMESALRAFATRPEHKSSDSTFLVLMSHGILEGICGTVHDEKKPDVLLYDTIFQIFNNRNCLSLKDKPKVIIVQACRGANRGELWVRDSPASLEVASSQSSENLEEDAVYKTHVEKDFIAFCSSTPHNVSWRDSTMGSIFITQLITCFQKYSWCCHLEEVFRKVQQSFETPRAKAQMPTIERLSMTRYFYLFPGN
  
Inhibitor
Name:
BDBM166683
Synonyms:
U74389G (B9)
Type:
Small organic molecule
Emp. Form.:
C37H50N6O2
Mol. Mass.:
610.8319
SMILES:
C[C@]12CC=C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1 |r,c:3,12,t:8|
Structure:
Search PDB for entries with ligand similarity: