Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin D
LigandBDBM50055925
Substrate/Competitorn/a
Meas. Tech. In-Vitro Fluorescence Assay
pH5.5±n/a
Temperature298.15±n/a K
IC50 8.60±n/a nM
Commentsextracted
Citation Tsaklakidis, CKlein, MCzodrowski, P Acylguanidines for treating osteoarthritis US Patent US9884814 Publication Date 2/6/2018
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:
BDBM50055925
n/a
NameBDBM50055925
Synonyms:CHEMBL3321939 | US9884814, Compound 99
TypeSmall organic molecule
Emp. Form.C28H36BrFN4O5
Mol. Mass.607.512
SMILESCOc1cc(CNC(=O)[C@@H](CC2CCCCC2)NC(=N)NC(=O)Cc2cc(OC)c(OC)cc2Br)ccc1F |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: