Target
Cathepsin D
Ligand
BDBM50010415
Substrate
n/a
Meas. Tech.
ChEBML_216563
IC50
5900±n/a nM
Citation
 Raddatz, PJonczyk, AMinck, KOSchmitges, CJSombroek, J Substrate analogue renin inhibitors containing replacements of histidine in P2 or isosteres of the amide bond between P3 and P2 sites. J Med Chem 34:3267-80 (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:
BDBM50010415
Synonyms:
(1-{1-[2-(3-{1-[(4-Amino-2-methyl-pyrimidin-5-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-cyclohexylmethyl-2-hydroxy-propylcarbamoyl)-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-piperidin-4-yl)-carbamic acid tert-butyl ester | CHEMBL407882
Type:
Small organic molecule
Emp. Form.:
C46H72N10O8
Mol. Mass.:
893.1261
SMILES:
CC[C@H](C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(CC1)NC(=O)OC(C)(C)C)C(=O)NCc1cnc(C)nc1N
Structure:
Search PDB for entries with ligand similarity: