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Target
Squalene synthase
Ligand
BDBM50052341
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
30±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:
Rattus norvegicus
Description:
ChEMBL_1336736
Residue:
416
Sequence:
MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
  
Inhibitor
Name:
BDBM50052341
Synonyms:
3-(4-Pyrimidin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL99839
Type:
Small organic molecule
Emp. Form.:
C17H19N3O
Mol. Mass.:
281.3523
SMILES:
OC1(CN2CCC1CC2)c1ccc(cc1)-c1ncccn1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(13.35,-8.09,;12.95,-10.02,;13.24,-11.53,;11.76,-10.83,;10.09,-11.56,;9.88,-10.06,;11.48,-9.36,;11.48,-7.5,;12.04,-8.76,;14.5,-10.02,;15.27,-11.35,;16.81,-11.35,;17.58,-10.02,;16.81,-8.69,;15.27,-8.69,;19.15,-10.02,;19.92,-11.35,;21.47,-11.35,;22.24,-10.01,;21.46,-8.66,;19.92,-8.68,)|
Structure:
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