Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50282948
Substrate
n/a
Meas. Tech.
ChEBML_202109
IC50
245±n/a nM
Citation
 Cox, B; Hutson, JL; Keeling, SE; Kirk, BE; Srikantha, AR; Watson, NS The squalestatins: Potent inhibitors of squalene synthase, 3-hydroxymethyl derivatives. Bioorg Med Chem Lett 4:1931-1936 (1994)    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:
BDBM50282948
Synonyms:
(1S,3R,4S,5R,6R,7R)-1-((4S,5R)-4-Acetoxy-5-methyl-3-methylene-6-phenyl-hexyl)-6-heptanoyloxy-4,7-dihydroxy-3-(1-hydroxy-vinyl)-2,8-dioxa-bicyclo[3.2.1]octane-4,5-dicarboxylic acid | CHEMBL56545
Type:
Small organic molecule
Emp. Form.:
C32H44O13
Mol. Mass.:
636.684
SMILES:
CCCCCCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC(=C)[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@@H](CO)O2)C(O)=O |TLB:37:36:31:9.10,42:36:31:9.10,THB:8:9:31:36.41.38,39:38:31:9.10|
Structure:
Search PDB for entries with ligand similarity: