| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene synthase |
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| Ligand | BDBM50058953 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_202256 (CHEMBL813370) |
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| IC50 | 33±n/a nM |
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| Citation |  Fung, AK; Baker, WR; Fakhoury, S; Stein, HH; Cohen, J; Donner, BG; Garvey, DS; Spina, KP; Rosenberg, SH (1 alpha, 2 beta, 3 beta, 4 alpha)-1,2-bis[N-propyl-N-(4-phenoxybenzyl) amino]carbonyl]cyclobutane-3,4-dicarboxylic acid (A-87049): a novel potent squalene synthase inhibitor. J Med Chem40:2123-5 (1997) [PubMed] 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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| BDBM50058953 |
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| n/a |
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| Name | BDBM50058953 |
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| Synonyms: | (1S,3S,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(5S,7S)-5,7-dimethyl-2-oxo-dec-3-enyl)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | CHEMBL302176 |
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| Type | Small organic molecule |
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| Emp. Form. | C37H50O13 |
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| Mol. Mass. | 702.7851 |
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| SMILES | CCC[C@H](C)C[C@H](C)C=CC(=O)C[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O |w:9.9| |
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| Structure | 
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