Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin D
LigandBDBM50540171
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1980875 (CHEMBL4614137)
IC50 90000±n/a nM
Citation Winneroski, LLErickson, JAGreen, SJLopez, JEStout, SLPorter, WJTimm, DEAudia, JEBarberis, MBeck, JPBoggs, LNBorders, ARBoyer, RDBrier, RAHembre, EJHendle, JGarcia-Losada, PMinguez, JMMathes, BMMay, PCMonk, SARankovic, ZShi, YWatson, BMYang, ZMergott, DJ Preparation and biological evaluation of BACE1 inhibitors: Leveraging trans-cyclopropyl moieties as ligand efficient conformational constraints. Bioorg Med Chem28:0 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cathepsin D
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:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVP
AVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIH
HKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFG
EATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQ
PGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSL
MVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQ
AGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50540171
n/a
NameBDBM50540171
Synonyms:CHEMBL4643727
TypeSmall organic molecule
Emp. Form.C19H26N6OS
Mol. Mass.386.514
SMILES[H][C@]1(C[C@H]1C(=O)NC[C@@H]1C[C@H]1C)[C@]12CN(C[C@@]1([H])CSC(N)=N2)c1ncccn1 |r,c:24|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: