Target
Cathepsin D
Ligand
BDBM16055
Substrate
Cathepsin D Peptide Substrate
Meas. Tech.
Enzyme Inhibition Measurements
Temperature
298.15±n/a K
IC50
<10±n/a nM
Comments
extracted
Citation
 Hanessian, SYun, HHou, YYang, GBayrakdarian, MTherrien, EMoitessier, NRoggo, SVeenstra, STintelnot-Blomley, MRondeau, JMOstermeier, CStrauss, ARamage, PPaganetti, PNeumann, UBetschart, 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:
BDBM16055
Synonyms:
(2S)-N-[(1S)-1-{[(1S,2S)-1-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}cyclopentyl]-1-hydroxy-4-methylpentan-2-yl]carbamoyl}-3-(methylsulfanyl)propyl]-2-acetamido-4-methylpentanamide | N-acetyl-L-leucyl-N-{(1S)-1-[(S)-[(1R,2R)-2-{[(1S)-1-(butylcarbamoyl)-2-methylpropyl]carbamoyl}cyclopentyl](hydroxy)methyl]-3-methylbutyl}-L-methioninamide | truncated OM99-2 cyclopentano analog 47
Type:
Small organic molecule
Emp. Form.:
C34H63N5O6S
Mol. Mass.:
669.959
SMILES:
[H][C@]1(CCC[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