Reaction Details Report a problem with these data
Target
Renin
Ligand
BDBM18012
Substrate
n/a
Meas. Tech.
ChEMBL_2236012 (CHEMBL5149784)
IC50
0.067000±n/a nM
Citation
 Iijima, D; Sugama, H; Awai, N; Takahashi, Y; Togashi, Y; Takebe, T; Xie, J; Shen, J; Ke, Y; Akatsuka, H; Kawaguchi, T; Takedomi, K; Kashima, A; Nishio, M; Inui, Y; Yoneda, H; Xia, G; Iijima, T Discovery of Novel 2-Carbamoyl Morpholine Derivatives as Highly Potent and Orally Active Direct Renin Inhibitors. ACS Med Chem Lett 13:1351-1357 (2022) [PubMed] 
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:
BDBM18012
Synonyms:
trans,trans-4-arylpiperidine-based compound, 1
Type:
Small organic molecule
Emp. Form.:
C38H47NO8
Mol. Mass.:
645.7817
SMILES:
COC[C@@H](O)CO[C@@H]1CNC[C@H](OCc2cc(OC)c3ccccc3c2)[C@H]1c1ccc(OCCCOCc2ccccc2OC)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: