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Target
Squalene synthase
Ligand
BDBM50052349
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
370±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:
BDBM50052349
Synonyms:
3-[1,1';4',1'']Terphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL329513
Type:
Small organic molecule
Emp. Form.:
C25H25NO
Mol. Mass.:
355.4721
SMILES:
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |THB:0:1:7.8:5.4,9:1:7.8:5.4,(9.43,-7.58,;9.22,-9.41,;9.48,-10.79,;8.12,-10.15,;6.59,-10.82,;6.4,-9.44,;7.86,-8.8,;7.86,-7.1,;8.37,-8.26,;10.76,-9.41,;11.52,-8.06,;13.04,-8.06,;13.83,-9.41,;13.06,-10.75,;11.52,-10.75,;15.37,-9.41,;16.14,-10.73,;17.68,-10.73,;18.45,-9.4,;17.66,-8.06,;16.12,-8.06,;19.99,-9.4,;20.74,-8.06,;22.28,-8.06,;23.05,-9.4,;22.28,-10.73,;20.74,-10.73,)|
Structure:
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