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Target
Squalene synthase
Ligand
BDBM50052364
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
40±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:
BDBM50052364
Synonyms:
3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL329766
Type:
Small organic molecule
Emp. Form.:
C17H19NOS
Mol. Mass.:
285.404
SMILES:
OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.57,-8.02,;13.24,-10.07,;13.54,-11.57,;12.05,-10.89,;10.38,-11.6,;10.17,-10.1,;11.77,-9.41,;11.77,-7.56,;12.33,-8.84,;14.79,-10.09,;15.53,-11.42,;17.09,-11.42,;17.85,-10.09,;17.06,-8.75,;15.53,-8.75,;19.4,-10.07,;20.29,-8.84,;21.73,-9.29,;21.75,-10.86,;20.3,-11.32,)|
Structure:
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