| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50330347 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1704429 (CHEMBL4055662) |
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| IC50 | 7.0±n/a nM |
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| Citation |  Cloudsdale, IS; Dickson, JK; Barta, TE; Grella, BS; Smith, ED; Kulp, JL; Guarnieri, F; Kulp, JL Design, synthesis and biological evaluation of renin inhibitors guided by simulated annealing of chemical potential simulations. Bioorg Med Chem25:3947-3963 (2017) [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 |
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| Synonyms: | Angiotensinogenase | REN | RENI_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 45058.99 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 406 |
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| Sequence: | MDGWRRMPRWGLLLLLWGSCTFGLPTDTTTFKRIFLKRMPSIRESLKERGVDMARLGPEW
SQPMKRLTLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRL
YTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEM
PALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSENSQSLGG
QIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISG
STSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKK
LCTLAIHAMDIPPPTGPTWALGATFIRKFYTEFDRRNNRIGFALAR
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| BDBM50330347 |
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| n/a |
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| Name | BDBM50330347 |
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| Synonyms: | 6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-(3,5-difluoro-phenyl)-4-(3-methoxy-propyl)-2-methyl-4Hbenzo[1,4]oxazin-3-one | CHEMBL239496 | rac-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one |
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| Type | Small organic molecule |
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| Emp. Form. | C25H27F2N5O3 |
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| Mol. Mass. | 483.5104 |
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| SMILES | CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1 |w:15.16| |
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| Structure | 
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