Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50052352
Substrate
n/a
Meas. Tech.
ChEMBL_202113 (CHEMBL808971)
IC50
18±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:
BDBM50052352
Synonyms:
3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]oct-2-ene | CHEMBL100392
Type:
Small organic molecule
Emp. Form.:
C19H19N
Mol. Mass.:
261.3609
SMILES:
C1CN2CCC1C(=C2)c1ccc(cc1)-c1ccccc1 |c:7,THB:8:6:0.1:4.3,(8.69,-9.06,;8.89,-10.44,;10.41,-9.76,;10.66,-7.87,;10.23,-6.77,;10.15,-8.42,;11.52,-9.02,;11.79,-10.41,;13.06,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)|
Structure:
Search PDB for entries with ligand similarity: