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Target
Squalene synthase
Ligand
BDBM50118893
Substrate
n/a
Meas. Tech.
ChEMBL_225034 (CHEMBL844994)
IC50
70±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:
BDBM50118893
Synonyms:
4-(1-{2-[7-Chloro-5-(2,3-dimethoxy-phenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-2-oxo-1,2,3,5-tetrahydro-benzo[e][1,4]oxazepin-3-yl]-acetyl}-piperidin-4-yl)-butyric acid | CHEMBL139781
Type:
Small organic molecule
Emp. Form.:
C33H43ClN2O8
Mol. Mass.:
631.156
SMILES:
COc1cccc([C@H]2O[C@H](CC(=O)N3CCC(CCCC(O)=O)CC3)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc23)c1OC
Structure:
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