Reaction Details Report a problem with these data
Target
Squalene synthase
Ligand
BDBM50338907
Substrate
n/a
Meas. Tech.
ChEMBL_727292 (CHEMBL1687386)
IC50
1.1±n/a nM
Citation
Ichikawa, M; Yokomizo, A; Itoh, M; Sugita, K; Usui, H; Shimizu, H; Suzuki, M; Terayama, K; Kanda, A Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors. Bioorg Med Chem 19:1930-49 (2011) [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:
BDBM50338907
Synonyms:
CHEMBL1684996 | Ethyl 1-{4-[{4-chloro-2-[hydroxy(2-methoxyphenyl)-methyl]phenyl}(2,2-dimethylpropyl)amino]-4-oxobutanoyl}-piperidine-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C31H41ClN2O6
Mol. Mass.:
573.12
SMILES:
CCOC(=O)C1CCN(CC1)C(=O)CCC(=O)N(CC(C)(C)C)c1ccc(Cl)cc1C(O)c1ccccc1OC