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Target
Renin
Ligand
BDBM212579
Substrate
n/a
Meas. Tech.
ChEMBL_2228778 (CHEMBL5142291)
IC50
0.400000±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:
BDBM212579
Synonyms:
US10155731, Example 270 | US9278944, 270
Type:
Small organic molecule
Emp. Form.:
C22H32N6O4
Mol. Mass.:
444.5273
SMILES:
COC(=O)NCCCn1nc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2ccc(C)nc12 |r|
Structure:
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