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Target
Squalene synthase
Ligand
BDBM50052343
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
3±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:
BDBM50052343
Synonyms:
3-Biphenyl-4-ylethynyl-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL317462
Type:
Small organic molecule
Emp. Form.:
C21H21NO
Mol. Mass.:
303.3975
SMILES:
OC1(CN2CCC1CC2)C#Cc1ccc(cc1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(8.8,-5.03,;8.54,-7.02,;8.83,-8.52,;7.36,-7.82,;5.68,-8.55,;5.47,-7.05,;7.08,-6.36,;7.08,-4.51,;7.64,-5.76,;10.08,-7.02,;10.91,-8.3,;11.75,-9.56,;13.23,-9.22,;14.27,-10.37,;13.78,-11.83,;12.28,-12.18,;11.24,-11.02,;14.83,-12.95,;16.33,-12.63,;17.37,-13.77,;16.92,-15.25,;15.39,-15.56,;14.38,-14.43,)|
Structure:
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