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Target
Renin
Ligand
BDBM18012
Substrate
n/a
Meas. Tech.
ChEMBL_2228803 (CHEMBL5142316)
IC50
0.067000±n/a nM
Citation
 Iijima, D; Sugama, H; Takahashi, Y; Hirai, M; Togashi, Y; 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 SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor. J Med Chem 65:10882-10897 (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:
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