Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin D
LigandBDBM50372240
Substrate/Competitorn/a
Meas. Tech.ChEMBL_464834 (CHEMBL930552)
IC50 1380±n/a nM
Citation Jennings, LDCole, DCStock, JRSukhdeo, MNEllingboe, JWCowling, RJin, GManas, ESFan, KYMalamas, MSHarrison, BLJacobsen, SChopra, RLohse, PAMoore, WJO'Donnell, MMHu, YRobichaud, AJTurner, MJWagner, EBard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1' substrate binding pocket. Bioorg Med Chem Lett18:767-71 (2008) [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:
BDBM50372240
n/a
NameBDBM50372240
Synonyms:CHEMBL257099
TypeSmall organic molecule
Emp. Form.C30H35N5O
Mol. Mass.481.6318
SMILESNc1cccc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)c1 |TLB:18:19:22.21.26:24,THB:20:21:24:28.19.27,20:19:22.21.26:24,27:19:22:26.25.24,27:25:22:28.20.19,18:19:22:26.25.24|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: