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Target
Squalene synthase
Ligand
BDBM50052345
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
161±n/a nM
Citation
 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ Synthesis and activity of a novel series of 3-biarylquinuclidine squalene synthase inhibitors. J Med Chem 39:2971-9 (1996) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48109.41
Organism:
Rat
Description:
ChEMBL_1336736
Residue:
416
Sequence:
MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
  
Inhibitor
Name:
BDBM50052345
Synonyms:
3-(4-Pyridin-4-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL100691
Type:
Small organic molecule
Emp. Form.:
C18H20N2O
Mol. Mass.:
280.3642
SMILES:
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.2,-8.13,;12.89,-10.05,;13.18,-11.57,;11.71,-10.88,;11.98,-8.83,;11.43,-7.56,;11.43,-9.41,;9.84,-10.1,;10.05,-11.6,;14.43,-10.08,;15.2,-11.4,;16.73,-11.4,;17.5,-10.08,;16.73,-8.74,;15.2,-8.74,;19.06,-10.07,;19.82,-8.74,;21.36,-8.74,;22.13,-10.08,;21.37,-11.4,;19.83,-11.4,)|
Structure:
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