Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSqualene synthase
LigandBDBM50029170
Substrate/Competitorn/a
Meas. Tech.ChEMBL_202111 (CHEMBL808969)
IC50 4.5±n/a nM
Citation Brown, GRButlin, RJChapman, SEakin, MAFoubister, AJFreeman, SGriffiths, DHarrison, PJJohnson, MCMallion, KB Phenoxypropylamines: a new series of squalene synthase inhibitors. J Med Chem38:4157-60 (1995) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Squalene synthase
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:
MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQA
LDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRV
VLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVG
IGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYV
KKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAK
QLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50029170
n/a
NameBDBM50029170
Synonyms:1-[3-Allyl-4-(2-hydroxy-3-isopropylamino-propoxy)-phenyl]-butan-1-one | CHEMBL132196
TypeSmall organic molecule
Emp. Form.C19H29NO3
Mol. Mass.319.4385
SMILESCCCC(=O)c1ccc(OCC(O)CNC(C)C)c(CC=C)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: