Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-4
LigandBDBM50200548
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1622626 (CHEMBL3864978)
Ki 870±n/a nM
Citation Kent, CRBryja, MGustafson, HAKawarski, MYLenti, GPierce, ENKnopp, RCCeja, VPati, BWalters, DEKarver, 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 Lett26:5476-5480 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Caspase-4
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:
MAEGNHRKKPLKVLESLGKDFLTGVLDNLVEQNVLNWKEEEKKKYYDAKTEDKVRVMADS
MQEKQRMAGQMLLQTFFNIDQISPNKKAHPNMEAGPPESGESTDALKLCPHEEFLRLCKE
RAEEIYPIKERNNRTRLALIICNTEFDHLPPRNGADFDITGMKELLEGLDYSVDVEENLT
ARDMESALRAFATRPEHKSSDSTFLVLMSHGILEGICGTVHDEKKPDVLLYDTIFQIFNN
RNCLSLKDKPKVIIVQACRGANRGELWVRDSPASLEVASSQSSENLEEDAVYKTHVEKDF
IAFCSSTPHNVSWRDSTMGSIFITQLITCFQKYSWCCHLEEVFRKVQQSFETPRAKAQMP
TIERLSMTRYFYLFPGN
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50200548
n/a
NameBDBM50200548
Synonyms:CHEMBL3895496
TypeSmall organic molecule
Emp. Form.C22H31N7
Mol. Mass.393.5284
SMILESC(N1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1)c1cccnc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: