Reaction Details Report a problem with these data
Target
Cathepsin D
Ligand
BDBM36567
Substrate
n/a
Meas. Tech.
High Through-Put Fluorescence Assay
pH
3.7±0
Ki
15±0 nM
IC50
19±2 nM
Citation
 Kick, EK; Roe, DC; Skillman, AG; Liu, G; Ewing, TJ; Sun, Y; Kuntz, ID; Ellman, JA Structure-based design and combinatorial chemistry yield low nanomolar inhibitors of cathepsin D. Chem Biol 4:297-307 (1997) [PubMed]  Article 
Target
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:
MQPSSLLPLALCLLAAPASALVRIPLHKFTSIRRTMSEVGGSVEDLIAKGPVSKYSQAVPAVTEGPIPEVLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSSNLWVPSIHCKLLDIACWIHHKYNSDKSSTYVKNGTSFDIHYGSGSLSGYLSQDTVSVPCQSASSASALGGVKVERQVFGEATKQPGITFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDQNIFSFYLSRDPDAQPGGELMLGGTDSKYYKGSLSYLNVTRKAYWQVHLDQVEVASGLTLCKEGCEAIVDTGTSLMVGPVDEVRELQKAIGAVPLIQGEYMIPCEKVSTLPAITLKLGGKGYKLSPEDYTLKVSQAGKTLCLSGFMGMDIPPPSGPLWILGDVFIGRYYTVFDRDNNRVGFAEAARL
  
Inhibitor
Name:
BDBM36567
Synonyms:
EHO
Type:
Small organic molecule
Emp. Form.:
C37H33Cl2N3O8
Mol. Mass.:
718.579
SMILES:
OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r|
Structure:
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