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Target
Cathepsin D
Ligand
BDBM50287743
Substrate
n/a
Meas. Tech.
ChEBML_45186
IC50
780±n/a nM
Citation
 Whitesitt, CA; Simon, RL; Reel, JK; Sigmund, SK; Phillips, ML; Shadle, JK; Heinz, LJ; Koppel, GA; Hunden, DC; Lifer, SL; Berry, D; Ray, J; Little, SP; Liu, X; Marshall, WS; Panetta, JA Synthesis and structure-activity relationships of benzophenones as inhibitors of cathepsin D Bioorg Med Chem Lett 6:2157-2162 (1996)    Article 
Target
Name:
Cathepsin D
Synonyms:
CATD_HUMAN | CPSD | CTSD | Cathepsin D [Precursor] | Cathepsin D heavy chain | Cathepsin D light chain | Cathepsin D precursor
Type:
Enzyme
Mol. Mass.:
44551.72
Organism:
Homo sapiens (Human)
Description:
Human proCathepsin D (SwissProt accession number P07339) was expressed in Sf9 cells, purified, and autoactivated.
Residue:
412
Sequence:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM50287743
Synonyms:
5-[1-[4-(4-Benzoyl-phenoxymethyl)-phenyl]-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one | CHEMBL68538
Type:
Small organic molecule
Emp. Form.:
C24H17NO3S2
Mol. Mass.:
431.527
SMILES:
SC1=NC(=O)C(S1)=Cc1ccc(COc2ccc(cc2)C(=O)c2ccccc2)cc1 |w:7.8,t:1|
Structure:
Search PDB for entries with ligand similarity: