| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene synthase |
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| Ligand | BDBM50038096 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_201928 |
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| IC50 | 0.240000±n/a nM |
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| Citation |  Iwasawa, Y; Hayashi, M; Nomoto, T; Shibata, J; Mitsuya, M; Hirota, K; Yonemoto, M; Kamei, T; Miura, K; Tomimoto, K Synthesis and biological activity of J-104,118, a novel, potent inhibitor of squalene synthase Bioorg Med Chem Lett5:1989-1994 (1995) 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: | FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase |
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| Type: | PROTEIN |
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| Mol. Mass.: | 48114.76 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_1352847 |
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| Residue: | 417 |
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| Sequence: | MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQA
LDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQ
VLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVG
IGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYV
KKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTR
QIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
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| BDBM50038096 |
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| n/a |
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| Name | BDBM50038096 |
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| Synonyms: | (6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydroxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | (R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-((E)-(4S,6S)-4,6-dimethyl-oct-2-enoyloxy)-4,7-dihydrxxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | 7-[3,5-dimethyl-(E,3S,5S)-1-heptenylcarbonyloxy]-2,6-dihydroxy-5-{3-[2-methyl-1-methylcarbonyloxy-3-phenyl-(1S,2R)-propyl]-3-butenyl}-(6R,7R)-4,8-dioxabicyclo[3.2.1]octane-1,2,3-tricarboxylic acid | CHEMBL40991 | L-694599 |
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| Type | Small organic molecule |
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| Emp. Form. | C35H46O14 |
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| Mol. Mass. | 690.7313 |
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| SMILES | CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)C2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)OC1(C(O)=O)C(O)(C(O2)C(O)=O)C(O)=O |
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| Structure | 
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