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TargetCathepsin D
LigandBDBM50110934
Substrate/Competitorn/a
Meas. Tech.ChEMBL_45176 (CHEMBL662661)
Ki 5.2±n/a nM
Citation Huo, SWang, JCieplak, PKollman, PAKuntz, ID Molecular dynamics and free energy analyses of cathepsin D-inhibitor interactions: insight into structure-based ligand design. J Med Chem45:1412-9 (2002) [PubMed]
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
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  Blast E-value cutoff:
BDBM50110934
n/a
NameBDBM50110934
Synonyms:CHEMBL30483 | N-((1S,3S)-1-Benzyl-3-{[2-(2,4-dichloro-phenyl)-ethyl]-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propionyl]-amino}-2-hydroxy-propyl)-2-bromo-4,5-dimethoxy-benzamide
TypeSmall organic molecule
Emp. Form.C38H36BrCl2N3O7
Mol. Mass.797.518
SMILESCOc1cc(Br)c(cc1OC)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCN1C(=O)c2ccccc2C1=O
Structure
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