| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene synthase |
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| Ligand | BDBM50033189 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_202122 (CHEMBL808979) |
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| IC50 | 2875±n/a nM |
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| Citation |  Bamford, MJ; Chan, C; Craven, AP; Dymock, BW; Green, D; Henson, RA; Kirk, BE; Lester, MG; Procopiou, PA; Snowden, MA The squalestatins: synthesis and biological activity of some C3-modified analogues; replacement of a carboxylic acid or methyl ester with an isoelectronic heterocyclic functionality. J Med Chem38:3502-13 (1995) [PubMed] |
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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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| BDBM50033189 |
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| n/a |
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| Name | BDBM50033189 |
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| Synonyms: | (1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3-methylene-6-phenyl-hexyl)-4,6,7-trihydroxy-3-(2-methyl-thiazol-4-yl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | CHEMBL119015 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H33NO10S |
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| Mol. Mass. | 575.627 |
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| SMILES | C[C@H](Cc1ccccc1)[C@H](C(C)=O)C(=C)CC[C@]12O[C@@]([C@H](O)[C@H]1O)(C(O)=O)[C@@](O)([C@H](O2)c1csc(C)n1)C(O)=O |TLB:31:29:18:20.22,23:22:18:27.29.30,THB:28:27:18:20.22,21:20:18:27.29.30,37:27:18:20.22| |
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| Structure | 
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