Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM16061
Substrate
Cathepsin D Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
Temperature
298.15±n/a K
IC50
280±n/a nM
Comments
extracted
Citation
 Hanessian, S; Yun, H; Hou, Y; Yang, G; Bayrakdarian, M; Therrien, E; Moitessier, N; Roggo, S; Veenstra, S; Tintelnot-Blomley, M; Rondeau, JM; Ostermeier, C; Strauss, A; Ramage, P; Paganetti, P; Neumann, U; Betschart, C Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. J Med Chem 48:5175-90 (2005) [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:
BDBM16061
Synonyms:
(2R,3S)-3-[(1S,2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-1-hydroxy-4-methyl-pentyl]-N-[(1S)-1-(butylcarbamoyl)-2-methyl-propyl]oxolane-2-carboxamide | (2S)-N-[(1S)-1-{[(1S,2S)-1-[(2R,3S)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}oxolan-3-yl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide | Val-NHBu deriv. 59
Type:
Small organic molecule
Emp. Form.:
C33H61N5O7S
Mol. Mass.:
671.932
SMILES:
[H][C@]1(CCO[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NCCCC)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Cathepsin D Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2375.29
Organism:
n/a
Description:
Peptide substrates were obtained from Bachem (Bubendorf, Switzerland).
Residue:
20
Sequence:
MCAGKPILFFRLKDNPDRNH