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Target
Squalene synthase
Ligand
BDBM50291314
Substrate
n/a
Meas. Tech.
ChEBML_202267
Ki
>250±n/a nM
Citation
 Brown, GR; Foubister, AJ; Freeman, S; McTaggart, F; Mirrlees, DJ; Reid, AC; Smith, GJ; Taylor, MJ; Thomason, DA; Whittamore, PR Novel optimised quinuclidine squalene synthase inhibitors Bioorg Med Chem Lett 7:597-600 (1997)    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:
BDBM50291314
Synonyms:
3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-ylethynyl)-phenyl]-propionamide | CHEMBL156006
Type:
Small organic molecule
Emp. Form.:
C21H26N2O2
Mol. Mass.:
338.4433
SMILES:
NC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:10:11:16.15:18.19,12:11:16.15:18.19,(18.09,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.24,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.64,;3.26,-8.24,;3.14,-6.74,;4.77,-6.15,;4.96,-4.38,;5.36,-5.61,;10.09,-2.93,;8.76,-2.17,;7.43,-2.94,;6.1,-2.18,;11.43,-2.15,)|
Structure:
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