Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50351083
Substrate
n/a
Meas. Tech.
ChEMBL_763997 (CHEMBL1820080)
IC50
1.6±n/a nM
Citation
 Ichikawa, M; Yokomizo, A; Itoh, M; Haginoya, N; Sugita, K; Usui, H; Terayama, K; Kanda, A Discovery of atrop fixed alkoxy-aminobenzhydrol derivatives: novel, highly potent and orally efficacious squalene synthase inhibitors. Bioorg Med Chem 19:5207-24 (2011) [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:
BDBM50351083
Synonyms:
CHEMBL1819569
Type:
Small organic molecule
Emp. Form.:
C30H39ClN2O7
Mol. Mass.:
575.093
SMILES:
COc1ccccc1[C@@H](O)c1cc(Cl)cc(OC)c1N(CC(C)(C)C)C(=O)CCC(=O)N1CCC[C@H](C1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: