Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50507790
Substrate
n/a
Meas. Tech.
ChEMBL_1831640 (CHEMBL4331648)
IC50
150±n/a nM
Citation
 Zogota, R; Kinena, L; Withers-Martinez, C; Blackman, MJ; Bobrovs, R; Pantelejevs, T; Kanepe-Lapsa, I; Ozola, V; Jaudzems, K; Suna, E; Jirgensons, A Peptidomimetic plasmepsin inhibitors with potent anti-malarial activity and selectivity against cathepsin D. Eur J Med Chem 163:344-352 (2019) [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:
BDBM50507790
Synonyms:
CHEMBL4516259
Type:
Small organic molecule
Emp. Form.:
C39H54N4O5
Mol. Mass.:
658.8699
SMILES:
COc1cccc(c1)C(C)(C)NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(cc(c1)C(=O)NCCOC(C)(C)C)N1CCCCC1 |r|
Structure:
Search PDB for entries with ligand similarity: