Reaction Details |
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Target | Squalene synthase |
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Ligand | BDBM50281107 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_201958 |
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IC50 | 15±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 |
Synonyms: | FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase |
Type: | PROTEIN |
Mol. Mass.: | 48114.76 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1352847 |
Residue: | 417 |
Sequence: | MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQA
LDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQ
VLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVG
IGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYV
KKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTR
QIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
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BDBM50281107 |
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n/a |
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Name | BDBM50281107 |
Synonyms: | (1S,3S,4S,5R,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-hydroxy-7-methoxycarbonyloxy-2,8-dioxa-bicyclo[3.2.1]octane-3,4,5-tricarboxylic acid | CHEMBL89566 |
Type | Small organic molecule |
Emp. Form. | C37H48O16 |
Mol. Mass. | 748.7674 |
SMILES | CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](OC(=O)OC)[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 |
Structure |
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