Reaction Details |
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Target | Renin |
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Ligand | BDBM50350922 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_763606 (CHEMBL1820132) |
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IC50 | 1.1±n/a nM |
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Citation | Yuan, J; Simpson, RD; Zhao, W; Tice, CM; Xu, Z; Cacatian, S; Jia, L; Flaherty, PT; Guo, J; Ishchenko, A; Wu, Z; McKeever, BM; Scott, BB; Bukhtiyarov, Y; Berbaum, J; Panemangalore, R; Bentley, R; Doe, CP; Harrison, RK; McGeehan, GM; Singh, SB; Dillard, LW; Baldwin, JJ; Claremon, DA Biphenyl/diphenyl ether renin inhibitors: filling the S1 pocket of renin via the S3 pocket. Bioorg Med Chem Lett21:4836-43 (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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BDBM50350922 |
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n/a |
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Name | BDBM50350922 |
Synonyms: | CHEMBL1818063 |
Type | Small organic molecule |
Emp. Form. | C30H40ClN3O5 |
Mol. Mass. | 558.109 |
SMILES | COC(=O)NCCC[C@](O)([C@@H]1CCCN(C1)C(=O)[C@H]1C[C@@H](N)[C@@H](O)C1)c1cccc(Cl)c1-c1cccc(C)c1 |r| |
Structure |
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