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TargetSqualene synthase
LigandBDBM50052377
Substrate/Competitorn/a
Meas. Tech.ChEMBL_202113 (CHEMBL808971)
IC50 8±n/a nM
Citation Brown, GRClarke, DSFoubister, AJFreeman, SHarrison, PJJohnson, MCMallion, KBMcCormick, JMcTaggart, FReid, ACSmith, GJTaylor, MJ Synthesis and activity of a novel series of 3-biarylquinuclidine squalene synthase inhibitors. J Med Chem39:2971-9 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Squalene synthase
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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  Blast E-value cutoff:
BDBM50052377
n/a
NameBDBM50052377
Synonyms:3-(Biphenyl-4-ylsulfanylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL319172
TypeSmall organic molecule
Emp. Form.C20H23NOS
Mol. Mass.325.468
SMILESOC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-10.14,;13.28,-10.14,;14.12,-11.43,;15.68,-11.32,;16.49,-12.62,;18.05,-12.55,;18.73,-11.15,;17.89,-9.86,;16.35,-9.96,;20.26,-11.07,;21.12,-12.36,;22.66,-12.27,;23.36,-10.87,;22.5,-9.58,;20.96,-9.68,;12.05,-11.64,;10.56,-10.96,;8.88,-11.67,;8.67,-10.17,;10.28,-9.47,;10.28,-7.62,;10.84,-8.9,)|
Structure
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