Target
Cathepsin D
Ligand
BDBM50012250
Substrate
n/a
Meas. Tech.
ChEMBL_44985 (CHEMBL660146)
IC50
27±n/a nM
Citation
 Repine, JTHimmelsbach, RJHodges, JCKaltenbronn, JSSircar, ISkeean, RWBrennan, STHurley, TRLunney, EHumblet, CC Renin inhibitors containing esters at the P2-position. Oral activity in a derivative of methyl aminomalonate. J Med Chem 34:1935-43 (1991) [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:
BDBM50012250
Synonyms:
CHEMBL58947 | N-(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexyl)-3-[2-(morpholine-4-sulfonylamino)-3-phenyl-propionylamino]-succinamic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C32H52N4O9S
Mol. Mass.:
668.842
SMILES:
COC(=O)CC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@H](O)CC(C)C
Structure:
Search PDB for entries with ligand similarity: