| Reaction Details |
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 | Report a problem with these data |
| Target | Renin |
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| Ligand | BDBM50003165 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_195749 |
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| pH | 7.4±n/a |
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| IC50 | 1.1±n/a nM |
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| Comments | extracted |
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| Citation |  Weber, AE; Steiner, MG; Krieter, PA; Colletti, AE; Tata, JR; Halgren, TA; Ball, RG; Doyle, JJ; Schorn, TW; Stearns, RA Highly potent, orally active diester macrocyclic human renin inhibitors. J Med Chem35:3755-73 (1992) [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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| BDBM50003165 |
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| n/a |
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| Name | BDBM50003165 |
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| Synonyms: | 1N-[1-[12-cyclohexylmethyl-11-hydroxy-8-(1,4-oxazinan-4-ylmethyl)-4,10,14-trioxo-(1S,8R,11R,12S)-3,9-dioxa-13-azacyclotetradecanylcarbamoyl]-2-phenyl-(1S)-ethyl]-3-amino-3-methylbutanamide.trifluoroacetate | CID44348732 | morpholinomethyl macrocycle derivative 35 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H57N5O9 |
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| Mol. Mass. | 715.8766 |
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| SMILES | CC(C)(N)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](CN2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O |
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| Structure | 
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