Target
Cathepsin D
Ligand
BDBM7977
Substrate
n/a
Meas. Tech.
ChEMBL_302506 (CHEMBL875212)
Ki
4.9±n/a nM
Citation
 Johansson, POLindberg, JBlackman, MJKvarnström, IVrang, LHamelink, EHallberg, ARosenquist, ASamuelsson, B Design and synthesis of potent inhibitors of plasmepsin I and II: X-ray crystal structure of inhibitor in complex with plasmepsin II. J Med Chem 48:4400-9 (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:
BDBM7977
Synonyms:
(3S,4S)-5-[(4-bromophenyl)methoxy]-N-[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}ethyl]-3-hydroxy-4-[(2S)-3-methyl-2-(pyridin-2-ylformamido)butanamido]pentanamide | CHEMBL112598 | Pyridine-2-carboxylic Acid ((S)-1-{(1S,2S)-1-(4-Bromobenzyloxymethyl)3-[(S)-1-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)ethylcarbamoyl]-2-hydroxypropylcarbamoyl}-2-methylpropyl)amide | Statine-like inhibitor 16
Type:
Small organic molecule
Emp. Form.:
C32H45BrN6O7
Mol. Mass.:
705.64
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](COCc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: