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Target
Cathepsin D
Ligand
BDBM50324922
Substrate
n/a
Meas. Tech.
ChEMBL_651540 (CHEMBL1227792)
IC50
42000±n/a nM
Citation
 Madden, J; Dod, JR; Godemann, R; Kraemer, J; Smith, M; Biniszkiewicz, M; Hallett, DJ; Barker, J; Dyekjaer, JD; Hesterkamp, T Fragment-based discovery and optimization of BACE1 inhibitors. Bioorg Med Chem Lett 20:5329-33 (2010) [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:
BDBM50324922
Synonyms:
(3S)-3-(2-amino-5-chloro-1H-benzimidazol-1-yl)-N-(cyclohexylmethyl)pentanamide | (S)-3-(2-amino-5-chloro-1H-benzo[d]imidazol-1-yl)-N-(cyclohexylmethyl)pentanamide | CHEMBL1222240
Type:
Small organic molecule
Emp. Form.:
C19H27ClN4O
Mol. Mass.:
362.897
SMILES:
CC[C@@H](CC(=O)NCC1CCCCC1)n1c(N)nc2cc(Cl)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: