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Target
Cathepsin D
Ligand
BDBM50212180
Substrate
n/a
Meas. Tech.
ChEMBL_455664 (CHEMBL886447)
IC50
97000±n/a nM
Citation
 Lindsley, SR; Moore, KP; Rajapakse, HA; Selnick, HG; Young, MB; Zhu, H; Munshi, S; Kuo, L; McGaughey, GB; Colussi, D; Crouthamel, MC; Lai, MT; Pietrak, B; Price, EA; Sankaranarayanan, S; Simon, AJ; Seabrook, GR; Hazuda, DJ; Pudvah, NT; Hochman, JH; Graham, SL; Vacca, JP; Nantermet, PG Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors. Bioorg Med Chem Lett 17:4057-61 (2007) [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:
BDBM50212180
Synonyms:
CHEMBL400530 | N-((5R,14R)-5-amino-5-methyl-4,16-dioxo-14-phenyl-3-oxa-15-aza-tricyclo[15.3.1.1*7,11*]docosa-1(21),7,9,11(22),17,19-hexaen-19-yl)-N-propyl-methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C31H37N3O5S
Mol. Mass.:
563.708
SMILES:
CCCN(c1cc2COC(=O)[C@](C)(N)Cc3cccc(CC[C@@H](NC(=O)c(c2)c1)c1ccccc1)c3)S(C)(=O)=O
Structure:
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