Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50298999
Substrate
n/a
Meas. Tech.
ChEMBL_588260 (CHEMBL1050917)
Ki
>10000±n/a nM
Citation
 Orrling, KM; Marzahn, MR; Gutiérrez-de-Terán, H; Aqvist, J; Dunn, BM; Larhed, M alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. Bioorg Med Chem 17:5933-49 (2009) [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:
BDBM50298999
Synonyms:
(A)-(4R)-3-(2-Benzyl-3-(2-(2,6-dimethylphenoxy)acetamido)-2-hydroxypropanoyl)-N-((1S,2R)-2-hydroxy-1-indanyl)-5,5-dimethylthiazolidine-4-carboxamide | CHEMBL584191
Type:
Small organic molecule
Emp. Form.:
C35H41N3O6S
Mol. Mass.:
631.782
SMILES:
Cc1cccc(C)c1OCC(=O)NC[C@@](O)(Cc1ccccc1)C(=O)N1CSC(C)(C)[C@@H]1C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Structure:
Search PDB for entries with ligand similarity: