Target
Renin
Ligand
BDBM98678
Substrate
n/a
Meas. Tech.
ChEMBL_1452194 (CHEMBL3365816)
IC50
0.200000±n/a nM
Citation
 Ehara, TIrie, OKosaka, TKanazawa, TBreitenstein, WGrosche, POstermann, NSuzuki, MKawakami, SKonishi, KHitomi, YToyao, AGunji, HCumin, FSchiering, NWagner, TRigel, DFWebb, RLMaibaum, JYokokawa, F Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. ACS Med Chem Lett 5:787-92 (2014) [PubMed]  Article 
Target
Name:
Renin
Synonyms:
Angiotensinogenase | REN | RENI_HUMAN
Type:
Enzyme
Mol. Mass.:
45058.99
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
406
Sequence:
MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEWSQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
  
Inhibitor
Name:
BDBM98678
Synonyms:
US8497286, 154
Type:
Small organic molecule
Emp. Form.:
C26H42N4O4
Mol. Mass.:
474.6361
SMILES:
CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H]([C@@H]1O)C(=O)N(C1CC1)c1ccc(cn1)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: