Reaction Details |
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Target | Renin |
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Ligand | BDBM50345192 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_751249 (CHEMBL1787617) |
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IC50 | 0.7±n/a nM |
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Citation | Thangapandian, S; John, S; Sakkiah, S; Lee, KW Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches. Eur J Med Chem46:2469-76 (2011) [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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BDBM50345192 |
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n/a |
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Name | BDBM50345192 |
Synonyms: | 5-(2-(2-benzyl-3-(tert-butylsulfonyl)propanamido)-3-(1H-imidazol-5-yl)propanamido)-N-butyl-6-cyclohexyl-2-isopropyl-4-oxohexanamide | CHEMBL1783184 |
Type | Small organic molecule |
Emp. Form. | C39H61N5O6S |
Mol. Mass. | 727.997 |
SMILES | CCCCNC(=O)C(CC(=O)C(CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C |
Structure |
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