| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50005417 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_196281 (CHEMBL806635) |
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| IC50 | 0.100000±n/a nM |
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| Citation |  Lunney, EA; Hamilton, HW; Hodges, JC; Kaltenbronn, JS; Repine, JT; Badasso, M; Cooper, JB; Dealwis, C; Wallace, BA; Lowther, WT Analyses of ligand binding in five endothiapepsin crystal complexes and their use in the design and evaluation of novel renin inhibitors. J Med Chem36:3809-20 (1994) [PubMed] |
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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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| BDBM50005417 |
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| n/a |
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| Name | BDBM50005417 |
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| Synonyms: | CHEMBL266334 | N-[(1-Cyclohexylmethyl-2,3-dihydroxy-5-methyl-hexylcarbamoyl)-ethylsulfanyl-methyl]-2-(morpholine-4-sulfonylamino)-3-phenyl-propionamide |
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| Type | Small organic molecule |
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| Emp. Form. | C31H52N4O7S2 |
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| Mol. Mass. | 656.897 |
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| SMILES | CCSC(NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C |
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| Structure | 
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