Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCaspase-8
LigandBDBM50119203
Substrate/Competitorn/a
Meas. Tech.ChEMBL_46861 (CHEMBL659709)
IC50 10000±n/a nM
Citation Linton, SDKaranewsky, DSTernansky, RJWu, JCPham, BKodandapani, LSmidt, RDiaz, JLFritz, LCTomaselli, KJ Acyl dipeptides as reversible caspase inhibitors. Part 1: initial lead optimization. Bioorg Med Chem Lett12:2969-71 (2002) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Caspase-8
Name:Caspase-8
Synonyms:Apoptotic cysteine protease | Apoptotic protease Mch-5 | CAP4 | CASP-8 | CASP8 | CASP8_HUMAN | Caspase | Caspase-8 subunit p10 | Caspase-8 subunit p18 | FADD-homologous ICE/CED-3-like protease | FADD-like ICE | FLICE | ICE-like apoptotic protease 5 | MACH | MCH5 | MORT1-associated CED-3 homolog
Type:Enzyme
Mol. Mass.:55373.89
Organism:Homo sapiens (Human)
Description:Q14790
Residue:479
Sequence:
MDFSRNLYDIGEQLDSEDLASLKFLSLDYIPQRKQEPIKDALMLFQRLQEKRMLEESNLS
FLKELLFRINRLDLLITYLNTRKEEMERELQTPGRAQISAYRVMLYQISEEVSRSELRSF
KFLLQEEISKCKLDDDMNLLDIFIEMEKRVILGEGKLDILKRVCAQINKSLLKIINDYEE
FSKERSSSLEGSPDEFSNGEELCGVMTISDSPREQDSESQTLDKVYQMKSKPRGYCLIIN
NHNFAKAREKVPKLHSIRDRNGTHLDAGALTTTFEELHFEIKPHDDCTVEQIYEILKIYQ
LMDHSNMDCFICCILSHGDKGIIYGTDGQEAPIYELTSQFTGLKCPSLAGKPKVFFIQAC
QGDNYQKGIPVETDSEEQPYLEMDLSSPQTRYIPDEADFLLGMATVNNCVSYRNPAEGTW
YIQSLCQSLRERCPRGDDILTILTEVNYEVSNKDDKKNMGKQMPQPTFTLRKKLVFPSD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50119203
n/a
NameBDBM50119203
Synonyms:(S)-4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid ((S)-2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide | 4-Methyl-2-[2-(naphthalen-2-yloxy)-acetylamino]-pentanoic acid (2-hydroxy-5-oxo-tetrahydro-furan-3-yl)-amide | CHEMBL100405
TypeSmall organic molecule
Emp. Form.C22H26N2O6
Mol. Mass.414.4516
SMILESCC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)OC1O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: