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Target
Caspase-1
Ligand
BDBM50133889
Substrate
n/a
Meas. Tech.
ChEBML_46875
Ki
3170±n/a nM
Citation
 Ullman, BR; Aja, T; Deckwerth, TL; Diaz, JL; Herrmann, J; Kalish, VJ; Karanewsky, DS; Meduna, SP; Nalley, K; Robinson, ED; Roggo, SP; Sayers, RO; Schmitz, A; Ternansky, RJ; Tomaselli, KJ; Wu, JC Structure-activity relationships within a series of caspase inhibitors: effect of leaving group modifications. Bioorg Med Chem Lett 13:3623-6 (2003) [PubMed]  Article 
Target
Name:
Caspase-1
Synonyms:
CASP1_MOUSE | Casp1 | Il1bc
Type:
PROTEIN
Mol. Mass.:
45636.44
Organism:
Mus musculus
Description:
ChEMBL_651546
Residue:
402
Sequence:
MADKILRAKRKQFINSVSIGTINGLLDELLEKRVLNQEEMDKIKLANITAMDKARDLCDHVSKKGPQASQIFITYICNEDCYLAGILELQSAPSAETFVATEDSKGGHPSSSETKEEQNKEDGTFPGLTGTLKFCPLEKAQKLWKENPSEIYPIMNTTTRTRLALIICNTEFQHLSPRVGAQVDLREMKLLLEDLGYTVKVKENLTALEMVKEVKEFAACPEHKTSDSTFLVFMSHGIQEGICGTTYSNEVSDILKVDTIFQMMNTLKCPSLKDKPKVIIIQACRGEKQGVVLLKDSVRDSEEDFLTDAIFEDDGIKKAHIEKDFIAFCSSTPDNVSWRHPVRGSLFIESLIKHMKEYAWSCDLEDIFRKVRFSFEQPEFRLQMPTADRVTLTKRFYLFPGH
  
Inhibitor
Name:
BDBM50133889
Synonyms:
(S)-3-{(S)-3-Methyl-2-[2-(naphthalen-1-yloxy)-acetylamino]-butyrylamino}-5-(naphthalen-2-yloxy)-4-oxo-pentanoic acid | CHEMBL116661
Type:
Small organic molecule
Emp. Form.:
C32H32N2O7
Mol. Mass.:
556.6057
SMILES:
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)COc1ccc2ccccc2c1
Structure:
Search PDB for entries with ligand similarity: