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TargetSqualene synthase
LigandBDBM50052350
Substrate/Competitorn/a
Meas. Tech.ChEMBL_202113 (CHEMBL808971)
IC50 4±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:
BDBM50052350
n/a
NameBDBM50052350
Synonyms:3-((E)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]octane | CHEMBL327957
TypeSmall organic molecule
Emp. Form.C21H23N
Mol. Mass.289.414
SMILESC1CN2CCC1C(C2)\C=C\c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(9.53,-12.11,;9.74,-13.61,;11.4,-12.88,;11.68,-10.82,;11.12,-9.57,;11.12,-11.41,;12.6,-12.04,;12.88,-13.58,;13.78,-11.1,;15.21,-11.68,;16.43,-10.72,;16.11,-9.22,;17.24,-8.17,;18.7,-8.65,;19.05,-10.15,;17.9,-11.17,;19.85,-7.61,;19.53,-6.11,;20.65,-5.07,;22.14,-5.54,;22.47,-7.04,;21.32,-8.09,)|
Structure
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