Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSqualene synthase
LigandBDBM50049222
Substrate/Competitorn/a
Meas. Tech.ChEMBL_494372 (CHEMBL941165)
IC50 1900±n/a nM
Citation Song, YLin, FYYin, FHensler, MRodrígues Poveda, CAMukkamala, DCao, RWang, HMorita, CTGonzález Pacanowska, DNizet, VOldfield, E Phosphonosulfonates are potent, selective inhibitors of dehydrosqualene synthase and staphyloxanthin biosynthesis in Staphylococcus aureus. J Med Chem52:976-88 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Squalene synthase
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:
MEFVKCLGHPEEFYNLVRFRIGGKRKVMPKMDQDSLSSSLKTCYKYLNQTSRSFAAVIQA
LDGEMRNAVCIFYLVLRALDTLEDDMTISVEKKVPLLHNFHSFLYQPDWRFMESKEKDRQ
VLEDFPTISLEFRNLAEKYQTVIADICRRMGIGMAEFLDKHVTSEQEWDKYCHYVAGLVG
IGLSRLFSASEFEDPLVGEDTERANSMGLFLQKTNIIRDYLEDQQGGREFWPQEVWSRYV
KKLGDFAKPENIDLAVQCLNELITNALHHIPDVITYLSRLRNQSVFNFCAIPQVMAIATL
AACYNNQQVFKGAVKIRKGQAVTLMMDATNMPAVKAIIYQYMEEIYHRIPDSDPSSSKTR
QIISTIRTQNLPNCQLISRSHYSPIYLSFVMLLAALSWQYLTTLSQVTEDYVQTGEH
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50049222
n/a
NameBDBM50049222
Synonyms:1-Phosphono-4-[3-(4-propylphenoxy)phenyl]butylsulfonic Acid Tripotassium Salt | CHEMBL160340 | Tripotassium salt of 4-[3-(4-propyl-phenoxy)-phenyl]-1-phosphono-butane-1-sulfonic acid
TypeSmall organic molecule
Emp. Form.C19H22O7PS
Mol. Mass.425.414
SMILESCCCc1ccc(Oc2cccc(CCCC(P([O-])([O-])=O)S([O-])(=O)=O)c2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: