Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCathepsin D
LigandBDBM50302865
Substrate/Competitorn/a
Meas. Tech.ChEMBL_595447 (CHEMBL1045212)
IC50 2000±n/a nM
Citation Sealy, JMTruong, APTso, LProbst, GDAquino, JHom, RKJagodzinska, BMDressen, DWone, DWBrogley, LJohn, VTung, JSPleiss, MATucker, JAKonradi, AWDappen, MSToth, GPan, HRuslim, LMiller, JBova, MPSinha, SQuinn, KPSauer, JM Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. Bioorg Med Chem Lett19:6386-91 (2009) [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:
BDBM50302865
n/a
NameBDBM50302865
Synonyms:CHEMBL571432 | methyl(2S,5R)-5-((2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutylamino)-5-(3-tert-butylphenyl)piperidin-2-ylcarbamate
TypeSmall organic molecule
Emp. Form.C29H40F2N4O4
Mol. Mass.546.6491
SMILESCOC(=O)N[C@H]1CC[C@@](CN1)(NC[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(C)=O)c1cccc(c1)C(C)(C)C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: