Reaction Details |
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Target | Renin |
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Ligand | BDBM50598963 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2228779 (CHEMBL5142292) |
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IC50 | 0.700000±n/a nM |
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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 Chem65:10882-10897 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Renin |
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Name: | Renin |
Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
Type: | Enzyme |
Mol. Mass.: | 45058.99 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 406 |
Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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BDBM50598963 |
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n/a |
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Name | BDBM50598963 |
Synonyms: | CHEMBL5174310 |
Type | Small organic molecule |
Emp. Form. | C22H31N5O4 |
Mol. Mass. | 429.5126 |
SMILES | COC(=O)NCCCn1cc([C@@H](C)N(C2CC2)C(=O)[C@H]2CNCCO2)c2cccnc12 |r| |
Structure |
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