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Target
Cathepsin D
Ligand
BDBM136570
Substrate
n/a
Meas. Tech.
ChEMBL_1474436 (CHEMBL3423725)
IC50
14200±n/a nM
Citation
 Brodney, MA; Beck, EM; Butler, CR; Barreiro, G; Johnson, EF; Riddell, D; Parris, K; Nolan, CE; Fan, Y; Atchison, K; Gonzales, C; Robshaw, AE; Doran, SD; Bundesmann, MW; Buzon, L; Dutra, J; Henegar, K; LaChapelle, E; Hou, X; Rogers, BN; Pandit, J; Lira, R; Martinez-Alsina, L; Mikochik, P; Murray, JC; Ogilvie, K; Price, L; Sakya, SM; Yu, A; Zhang, Y; O'Neill, BT Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. J Med Chem 58:3223-52 (2015) [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:
BDBM136570
Synonyms:
US8865706, 9
Type:
Small organic molecule
Emp. Form.:
C18H19F2N3O2S
Mol. Mass.:
379.424
SMILES:
C[C@H]1SC(N)=N[C@]2(CO[C@H](C[C@@H]12)c1cc(C)no1)c1ccc(F)cc1F |c:4|
Structure:
Search PDB for entries with ligand similarity: