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Target
Cathepsin D
Ligand
BDBM8019
Substrate
Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
Ki
63±n/a nM
Citation
 Ersmark, K; Feierberg, I; Bjelic, S; Hamelink, E; Hackett, F; Blackman, MJ; Hulten, J; Samuelsson, B; Aqvist, J; Hallberg, A Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity. J Med Chem 47:110-22 (2004) [PubMed]  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:
BDBM8019
Synonyms:
2-(3-chlorophenoxy)-N-[(2S,3S)-3-hydroxy-4-{N-[2-(4-methoxyphenyl)ethyl]piperidin-4-ylformamido}-1-phenylbutan-2-yl]acetamide | CHEMBL33989 | hydroxyethylamine-based inhibitor 3
Type:
Small organic molecule
Emp. Form.:
C33H40ClN3O5
Mol. Mass.:
594.141
SMILES:
COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(Cl)c2)C(=O)C2CCNCC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
3501.67
Organism:
n/a
Description:
n/a
Residue:
31
Sequence:
DACYLGLARGNLEPHELESERPHEPREDANS