Reaction Details Report a problem with these data
Target
Caspase-7
Ligand
BDBM227
Substrate
Caspase-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Meas. Tech.
Fluorometric Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
940±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-7
Synonyms:
Apoptotic protease Mch-3 | CASP-7 | CASP7 | CASP7_HUMAN | CMH-1 | Caspase | MCH3 | caspase 7, apoptosis-related cysteine peptidase
Type:
Enzyme
Mol. Mass.:
34273.91
Organism:
Homo sapiens (Human)
Description:
P55210
Residue:
303
Sequence:
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQYNMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQDLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKLFFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSWFVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELYFSQ
  
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-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Synonyms:
Ac-DEVD-AFC | Ac-DEVD-AMC | Fluorometric Tetrapeptide Ac-DEVD-AMC
Type:
Peptide
Mol. Mass.:
473.41
Organism:
n/a
Description:
Molecular Mass of DEVD
Residue:
4
Sequence:
DEVD