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Target
Cathepsin D
Ligand
BDBM50008155
Substrate
n/a
Meas. Tech.
ChEBML_44987
IC50
>1000000±n/a nM
Citation
 Doherty, AM; Sircar, I; Kornberg, BE; Quin, J; Winters, RT; Kaltenbronn, JS; Taylor, MD; Batley, BL; Rapundalo, SR; Ryan, MJ Design and synthesis of potent, selective, and orally active fluorine-containing renin inhibitors. J Med Chem 35:2-14 (1992) [PubMed]  Article 
Target
Name:
Cathepsin D
Synonyms:
CATD_BOVIN | CTSD
Type:
PROTEIN
Mol. Mass.:
42158.92
Organism:
Bos taurus
Description:
ChEMBL_1458606
Residue:
387
Sequence:
VIRIPLHKFTSIRRTMSEAAGVLIAKGPISKYATGEPAVRQGPIPELLKNYMDAQYYGEIGIGTPPQCFTVVFDTGSANLWVPSIHCKLLDIACWTHRKYNSDKSSTYVKNGTTFDIHYGSGSLSGYLSQDTVSVPCNPSSSSPGGVTVQRQTFGEAIKQPGVVFIAAKFDGILGMAYPRISVNNVLPVFDNLMQQKLVDKNVFSFFLNRDPKAQPGGELMLGGTDSKYYRGSLMFHNVTRQAYWQIHMDQLDVGSSLTVCKGGCEAIVDTGTSLIVGPVEEVRELQKAIGAVPLIQGEYMIPCEKVSSLPEVTVKLGGKDYALSPEDYALKVSQAETTVCLSGFMGMDIPPPGGPLWILGDVFIGRYYTVFDRDQNRVGLAEAARL
  
Inhibitor
Name:
BDBM50008155
Synonyms:
2-[3-Hydroxy-2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-pent-4-enoic acid [1-cyclohexylmethyl-3,3-difluoro-2-hydroxy-3-(2-morpholin-4-yl-ethylcarbamoyl)-propyl]-amide; Hydrate | CHEMBL32046
Type:
Small organic molecule
Emp. Form.:
C35H54F2N6O9S
Mol. Mass.:
772.9
SMILES:
OC([C@H](NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1)c1ccccc1
Structure:
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