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Target
Cathepsin D
Ligand
BDBM50287758
Substrate
n/a
Meas. Tech.
ChEBML_45186
IC50
690±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:
BDBM50287758
Synonyms:
5-(2-Hydroxy-4-{4-[4-oxo-2-thioxo-thiazolidin-(5Z)-ylidenemethyl]-benzyloxy}-3-propyl-benzoyl)-nicotinic acid | CHEMBL69180
Type:
Small organic molecule
Emp. Form.:
C27H22N2O6S2
Mol. Mass.:
534.603
SMILES:
CCCc1c(O)c(ccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1)C(=O)c1cncc(c1)C(O)=O |w:16.16,c:21|
Structure:
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