| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene synthase |
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| Ligand | BDBM50051872 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_202116 |
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| IC50 | 6±n/a nM |
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| Citation |  Giblin, GM; Bell, R; Hancock, AP; Hartley, CD; Inglis, GG; Payne, JJ; Procopiou, PA; Shingler, AH; Smith, C; Spooner, SJ Semi-synthetic qualestatins: Squalene synthase inhibition and antifungal activity. The SAR of C6 and C7 modifications Bioorg Med Chem Lett3:2605-2610 (1993) Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Squalene synthase |
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| Name: | Squalene synthase |
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| Synonyms: | FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48109.41 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_1336736 |
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| Residue: | 416 |
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| Sequence: | MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQA
LDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRV
VLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVG
IGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYV
KKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAK
QLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
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| BDBM50051872 |
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| n/a |
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| Name | BDBM50051872 |
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| Synonyms: | (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | 2,6,7-trihydroxy-5-[3-(2-methyl-1-methylcarbonyloxy-3-phenylpropyl)-3-butenyl]-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid | CHEMBL418767 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H30O13 |
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| Mol. Mass. | 538.4979 |
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| SMILES | C[C@H](Cc1ccccc1)[C@H](OC(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |
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| Structure | 
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