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Target
Squalene synthase
Ligand
BDBM50052354
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
140±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:
BDBM50052354
Synonyms:
(1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-ylmethyl-amine | CHEMBL329516
Type:
Small organic molecule
Emp. Form.:
C20H24N2
Mol. Mass.:
292.418
SMILES:
C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;11.56,-10.67,;11,-9.41,;11,-11.26,;9.41,-11.96,;9.62,-13.45,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)|
Structure:
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