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Target
Squalene synthase
Ligand
BDBM50339915
Substrate
n/a
Meas. Tech.
ChEMBL_740875 (CHEMBL1763976)
IC50
>20000±n/a nM
Citation
 Griebenow, N; Flessner, T; Buchmueller, A; Raabe, M; Bischoff, H; Kolkhof, P Identification and optimization of tetrahydro-2H-3-benzazepin-2-ones as squalene synthase inhibitors. Bioorg Med Chem Lett 21:2554-8 (2011) [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:
BDBM50339915
Synonyms:
CHEMBL1761648 | trans-rac-2-(5-(2-chlorophenyl)-7-fluoro-1-isobutyl-2-oxo-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)acetic acid
Type:
Small organic molecule
Emp. Form.:
C22H23ClFNO3
Mol. Mass.:
403.874
SMILES:
CC(C)C[C@@H]1c2ccc(F)cc2[C@H](CN(CC(O)=O)C1=O)c1ccccc1Cl |r|
Structure:
Search PDB for entries with ligand similarity: