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Target
Cathepsin D
Ligand
BDBM16753
Substrate
n/a
Meas. Tech.
ChEMBL_462006 (CHEMBL944849)
IC50
18900±n/a nM
Citation
 Cole, DC; Stock, JR; Chopra, R; Cowling, R; Ellingboe, JW; Fan, KY; Harrison, BL; Hu, Y; Jacobsen, S; Jennings, LD; Jin, G; Lohse, PA; Malamas, MS; Manas, ES; Moore, WJ; O'Donnell, MM; Olland, AM; Robichaud, AJ; Svenson, K; Wu, J; Wagner, E; Bard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1 and S3 substrate binding pockets. Bioorg Med Chem Lett 18:1063-6 (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:
BDBM16753
Synonyms:
2-[2-(2-chlorophenyl)-5-[4-(4-acetylphenoxy)phenyl]-1H-pyrrol-1-yl]-N-(diaminomethylidene)acetamide | Acylguanidine, 7c | CHEMBL253237 | N-{2-[2-[4-(4-Acetyl-phenoxy)-phenyl]-5-(2-chloro-phenyl)-pyrrol-1-yl]-acetyl}-guanidine
Type:
Small organic molecule
Emp. Form.:
C27H23ClN4O3
Mol. Mass.:
486.95
SMILES:
CC(=O)c1ccc(Oc2ccc(cc2)-c2ccc(-c3ccccc3Cl)n2CC(=O)NC(N)=N)cc1
Structure:
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