Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM50030744
Substrate
n/a
Meas. Tech.
ChEMBL_1437721 (CHEMBL3382368)
Ki
31±n/a nM
Citation
 Schmitz, J; Beckmann, AM; Dudic, A; Li, T; Sellier, R; Bartz, U; Gütschow, M 3-Cyano-3-aza-ß-amino Acid Derivatives as Inhibitors of Human Cysteine Cathepsins. ACS Med Chem Lett 5:1076-81 (2014) [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:
BDBM50030744
Synonyms:
CHEMBL3342186
Type:
Small organic molecule
Emp. Form.:
C13H22N4O4
Mol. Mass.:
298.3382
SMILES:
CN(N(CC(=O)N1CCOCC1)C#N)C(=O)OC(C)(C)C
Structure:
Search PDB for entries with ligand similarity: