Reaction Details |
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Target | Squalene synthase |
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Ligand | BDBM50033200 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_202122 (CHEMBL808979) |
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IC50 | 72±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 |
Synonyms: | FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase |
Type: | PROTEIN |
Mol. Mass.: | 48109.41 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_1336736 |
Residue: | 416 |
Sequence: | MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQA
LDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRV
VLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVG
IGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYV
KKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAK
QLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
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BDBM50033200 |
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n/a |
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Name | BDBM50033200 |
Synonyms: | (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetyl-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-3-(3-methyl-[1,2,4]oxadiazol-5-yl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | CHEMBL331187 |
Type | Small organic molecule |
Emp. Form. | C37H48N2O12 |
Mol. Mass. | 712.7832 |
SMILES | CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@H]([C@H](C)Cc3ccccc3)C(C)=O)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)c1nc(C)no1)C(O)=O |TLB:39:38:33:12.13,48:38:33:12.13,14:13:33:38.40.41,THB:42:40:33:12.13,11:12:33:38.40.41| |
Structure |
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