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Target
Cathepsin D
Ligand
BDBM50231691
Substrate
n/a
Meas. Tech.
ChEMBL_468540 (CHEMBL931965)
IC50
7700±n/a nM
Citation
Clarke, B; Demont, E; Dingwall, C; Dunsdon, R; Faller, A; Hawkins, J; Hussain, I; MacPherson, D; Maile, G; Matico, R; Milner, P; Mosley, J; Naylor, A; O'Brien, A; Redshaw, S; Riddell, D; Rowland, P; Soleil, V; Smith, KJ; Stanway, S; Stemp, G; Sweitzer, S; Theobald, P; Vesey, D; Walter, DS; Ward, J; Wayne, G BACE-1 inhibitors part 1: identification of novel hydroxy ethylamines (HEAs). Bioorg Med Chem Lett 18:1011-6 (2008) [PubMed] Article
More Info.:
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:
BDBM50231691
Synonyms:
CHEMBL402120 | N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(methylsulfonyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C27H37N3O5S
Mol. Mass.:
515.665
SMILES:
C[C@H](NC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)S(C)(=O)=O)C(=O)NC1CCCCC1