Reaction Details Report a problem with these data
Target
Caspase-4
Ligand
BDBM50426565
Substrate
n/a
Meas. Tech.
ChEMBL_938632 (CHEMBL2327252)
IC50
180±n/a nM
Citation
 Rosse, G Irreversible inhibitors of cysteine proteases. ACS Med Chem Lett 4:163-4 (2013) [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:
BDBM50426565
Synonyms:
CHEMBL2324340
Type:
Small organic molecule
Emp. Form.:
C36H46N6O10S
Mol. Mass.:
754.85
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(O)=O)C=CS(C)(=O)=O |r,w:48.51|
Structure:
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