| Reaction Details |
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 | Report a problem with these data |
| Target | Squalene synthase |
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| Ligand | BDBM50344971 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_749032 (CHEMBL1781817) |
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| IC50 | 131±n/a nM |
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| Citation |  Griebenow, N; Buchmueller, A; Kolkhof, P; Schamberger, J; Bischoff, H Identification of 4H,6H-[2]benzoxepino[4,5-c][1,2]oxazoles as novel squalene synthase inhibitors. Bioorg Med Chem Lett21:3648-53 (2011) [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: | 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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| BDBM50344971 |
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| n/a |
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| Name | BDBM50344971 |
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| Synonyms: | (1-{2-[(4R,6S)-8-Chloro-6-(2,3-dimethoxy-phenyl)-1-isopropyl-4H,6H-2,5-dioxa-3-aza-benzo[e]azulen-4-yl]-acetyl}-piperidin-4-yl)-acetic acid | CHEMBL1778342 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H35ClN2O7 |
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| Mol. Mass. | 583.072 |
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| SMILES | COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)c3noc(C(C)C)c3-c3ccc(Cl)cc23)c1OC |r| |
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| Structure | 
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