Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50118897
Substrate
n/a
Meas. Tech.
ChEMBL_225034 (CHEMBL844994)
IC50
78±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
More Info.:
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:
BDBM50118897
Synonyms:
(1-{2-[1-(3-Acetoxy-2,2-dimethyl-propyl)-7-chloro-5-(2,3-dimethoxy-phenyl)-2-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]oxazepin-3-yl]-acetyl}-piperidin-4-yl)-acetic acid | CHEMBL435224
Type:
Small organic molecule
Emp. Form.:
C33H41ClN2O9
Mol. Mass.:
645.14
SMILES:
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CC(O)=O)CC3)C(=O)N(CC(C)(C)COC(C)=O)c3ccc(Cl)cc23)c1OC