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TargetCaspase-7
LigandBDBM224
Substrate/CompetitorCaspase-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
Meas. Tech.Fluorometric Assay
pH7.4±n/a
Temperature298.15±n/a K
Ki 90±n/a nM
Citation Choong, ICLew, WLee, DPham, PBurdett, MTLam, JWWiesmann, CLuong, TNFahr, BDeLano, WLMcDowell, RSAllen, DAErlanson, DAGordon, EMO'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 Chem45:5005-22 (2002) [PubMed]
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
Caspase-7
Name:Caspase
Synonyms:Apoptotic protease Mch-3 | CASP-7 | CMH-1 | caspase 7, apoptosis-related cysteine peptidase
Type:Enzyme
Mol. Mass.:34273.91
Organism:Homo sapiens (human)
Description:P55210
Residue:303
Sequence:
MADDQGCIEEQGVEDSANEDSVDAKPDRSSFVPSLFSKKKKNVTMRSIKTTRDRVPTYQY
NMNFEKLGKCIIINNKNFDKVTGMGVRNGTDKDAEALFKCFRSLGFDVIVYNDCSCAKMQ
DLLKKASEEDHTNAACFACILLSHGEENVIYGKDGVTPIKDLTAHFRGDRCKTLLEKPKL
FFIQACRGTELDDGIQADSGPINDTDANPRYKIPVEADFLFAYSTVPGYYSWRSPGRGSW
FVQALCSILEEHGKDLEIMQILTRVNDRVARHFESQSDDPHFHEKKQIPCVVSMLTKELY
FSQ
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  Blast E-value cutoff:
BDBM224
NameBDBM224
Synonyms:(S)-5-({5-[1-Carboxymethyl-3-(2-chloro-benzylsulfanyl)-2-oxo-propylcarbamoyl]thiazol-2-hydroxy-benzoic Acidylmethyl}sulfamoyl)-2- | 5-{[(5-{[(2S)-1-carboxy-4-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxobutan-2-yl]carbamoyl}-1,3-thiazol-2-yl)methyl]sulfamoyl}-2-hydroxybenzoic acid | Heterocyclic deriv. 64b | Inhibitor 64b
TypeSmall organic molecule
Emp. Form.C24H22ClN3O9S3
Mol. Mass.628.094
SMILESOC(=O)C[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)s1)C(=O)CSCc1ccccc1Cl |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Caspase-7 Fluorometric Substrate Ac-Asp-Glu-Val-Asp-AFC
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