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Target
Squalene synthase
Ligand
BDBM50442113
Substrate
n/a
Meas. Tech.
ChEMBL_993092 (CHEMBL2446442)
IC50
0.850000±n/a nM
Citation
 Ichikawa, M; Ohtsuka, M; Ohki, H; Ota, M; Haginoya, N; Itoh, M; Shibata, Y; Ishigai, Y; Terayama, K; Kanda, A; Sugita, K; Usui, H Discovery of DF-461, a Potent Squalene Synthase Inhibitor. ACS Med Chem Lett 4:932-6 (2013) [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:
BDBM50442113
Synonyms:
CHEMBL2441083
Type:
Small organic molecule
Emp. Form.:
C21H17ClF3N3O4
Mol. Mass.:
467.826
SMILES:
COc1cccc([C@H]2O[C@H](CC(O)=O)c3nnc(n3-c3ccc(Cl)cc23)C(F)(F)F)c1C |r|
Structure:
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