Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50118903
Substrate
n/a
Meas. Tech.
ChEMBL_225034 (CHEMBL844994)
IC50
87±n/a nM
Citation
 Miki, T; Kori, M; Mabuchi, H; Tozawa, R; Nishimoto, T; Sugiyama, Y; Teshima, K; Yukimasa, H Synthesis of novel 4,1-benzoxazepine derivatives as squalene synthase inhibitors and their inhibition of cholesterol synthesis. J Med Chem 45:4571-80 (2002) [PubMed]  Article 
Target
Name:
Squalene synthase
Synonyms:
FDFT1 | FDFT_HUMAN | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | SQS | SS | Squalene synthetase
Type:
PROTEIN
Mol. Mass.:
48114.76
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1352847
Residue:
417
Sequence:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQALDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQVLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVGIGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYVKKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTRQIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
  
Inhibitor
Name:
BDBM50118903
Synonyms:
CHEMBL343293 | Propionic acid 3-[3-[2-(4-carboxymethyl-piperidin-1-yl)-2-oxo-ethyl]-7-chloro-5-(2,3-dimethoxy-phenyl)-2-oxo-2,3-dihydro-5H-benzo[e][1,4]oxazepin-1-yl]-2,2-dimethyl-propyl ester
Type:
Small organic molecule
Emp. Form.:
C34H43ClN2O9
Mol. Mass.:
659.166
SMILES:
CCC(=O)OCC(C)(C)CN1c2ccc(Cl)cc2[C@H](O[C@H](CC(=O)N2CCC(CC(O)=O)CC2)C1=O)c1cccc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: