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Target
Caspase-8
Ligand
BDBM227
Substrate
Caspase-8 Fluorometric Substrate Ac-Ile-Glu-Thr-Asp-AFC
Meas. Tech.
Fluorometric Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
710±n/a nM
Citation
 Choong, IC; Lew, W; Lee, D; Pham, P; Burdett, MT; Lam, JW; Wiesmann, C; Luong, TN; Fahr, B; DeLano, WL; McDowell, RS; Allen, DA; Erlanson, DA; Gordon, EM; O'Brien, T Identification of potent and selective small-molecule inhibitors of caspase-3 through the use of extended tethering and structure-based drug design. J Med Chem 45:5005-22 (2002) [PubMed]  Article 
Target
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:
MDFSRNLYDIGEQLDSEDLASLKFLSLDYIPQRKQEPIKDALMLFQRLQEKRMLEESNLSFLKELLFRINRLDLLITYLNTRKEEMERELQTPGRAQISAYRVMLYQISEEVSRSELRSFKFLLQEEISKCKLDDDMNLLDIFIEMEKRVILGEGKLDILKRVCAQINKSLLKIINDYEEFSKERSSSLEGSPDEFSNGEELCGVMTISDSPREQDSESQTLDKVYQMKSKPRGYCLIINNHNFAKAREKVPKLHSIRDRNGTHLDAGALTTTFEELHFEIKPHDDCTVEQIYEILKIYQLMDHSNMDCFICCILSHGDKGIIYGTDGQEAPIYELTSQFTGLKCPSLAGKPKVFFIQACQGDNYQKGIPVETDSEEQPYLEMDLSSPQTRYIPDEADFLLGMATVNNCVSYRNPAEGTWYIQSLCQSLRERCPRGDDILTILTEVNYEVSNKDDKKNMGKQMPQPTFTLRKKLVFPSD
  
Inhibitor
Name:
BDBM227
Synonyms:
(S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]-4-methyl-thiophen-2-ylmethyl}-sulfamoyl)-2-hydroxy-benzoic Acid | 5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-4-methylthiophen-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid | Heterocyclic deriv. 69b | Inhibitor 69b
Type:
Small organic molecule
Emp. Form.:
C26H25ClN2O9S3
Mol. Mass.:
641.133
SMILES:
Cc1cc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)sc1C(=O)N[C@@H](CC(O)=O)C(=O)CSCc1ccccc1Cl |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Caspase-8 Fluorometric Substrate Ac-Ile-Glu-Thr-Asp-AFC
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
474.46
Organism:
n/a
Description:
Molecular Mass of IETD
Residue:
4
Sequence:
IETD