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Target
Cathepsin D
Ligand
BDBM50274095
Substrate
n/a
Meas. Tech.
ChEMBL_537544 (CHEMBL987113)
Ki
430±n/a nM
Citation
 Bäck, M; Nyhlén, J; Kvarnström, I; Appelgren, S; Borkakoti, N; Jansson, K; Lindberg, J; Nyström, S; Hallberg, A; Rosenquist, S; Samuelsson, B Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues. Bioorg Med Chem 16:9471-86 (2008) [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:
BDBM50274095
Synonyms:
4-[((S)-2-{(3S,4S)-5-(3,5-Difluoro-benzyloxy)-3-hydroxy-4-[3-(methanesulfonyl-methyl-amino)-5-((R)-1-phenyl-ethylcarbamoyl)-benzoylamino]-pentanoylamino}-3-methylbutyrylamino)-methyl]-benzoic acid | CHEMBL506759
Type:
Small organic molecule
Emp. Form.:
C43H49F2N5O10S
Mol. Mass.:
865.938
SMILES:
CC(C)[C@H](NC(=O)C[C@H](O)[C@H](COCc1cc(F)cc(F)c1)NC(=O)c1cc(cc(c1)C(=O)N[C@H](C)c1ccccc1)N(C)S(C)(=O)=O)C(=O)NCc1ccc(cc1)C(O)=O |r|
Structure:
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