Target
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1
Ligand
BDBM50082198
Substrate
n/a
Meas. Tech.
ChEMBL_1475278 (CHEMBL3425138)
IC50
72300±n/a nM
Citation
 Boyd, SBrookfield, JLCritchlow, SECumming, IACurtis, NJDebreczeni, JDegorce, SLDonald, CEvans, NJGroombridge, SHopcroft, PJones, NPKettle, JGLamont, SLewis, HJMacFaull, PMcLoughlin, SBRigoreau, LJSmith, JMSt-Gallay, SStock, JKTurnbull, APWheatley, ERWinter, JWingfield, J Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. J Med Chem 58:3611-25 (2015) [PubMed]  Article 
Target
Name:
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1
Synonyms:
6-phosphofructo-2-kinase | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 | 6PF-2-K/Fru-2,6-P2ase 1 | 6PF-2-K/Fru-2,6-P2ase liver isozyme | F261_HUMAN | F6PK | F6PK | Fructose-2,6-bisphosphatase | PFK/FBPase 1 | PFKFB1 | PFRX
Type:
PROTEIN
Mol. Mass.:
54681.17
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109606
Residue:
471
Sequence:
MSPEMGELTQTRLQKIWIPHSSGSSRLQRRRGSSIPQFTNSPTMVIMVGLPARGKTYISTKLTRYLNWIGTPTKVFNLGQYRREAVSYKNYEFFLPDNMEALQIRKQCALAALKDVHNYLSHEEGHVAVFDATNTTRERRSLILQFAKEHGYKVFFIESICNDPGIIAENIRQVKLGSPDYIDCDREKVLEDFLKRIECYEVNYQPLDEELDSHLSYIKIFDVGTRYMVNRVQDHIQSRTVYYLMNIHVTPRSIYLCRHGESELNIRGRIGGDSGLSVRGKQYAYALANFIQSQGISSLKVWTSHMKRTIQTAEALGVPYEQWKALNEIDAGVCEEMTYEEIQEHYPEEFALRDQDKYRYRYPKGESYEDLVQRLEPVIMELERQENVLVICHQAVMRCLLAYFLDKSSDELPYLKCPLHTVLKLTPVAYGCKVESIYLNVEAVNTHREKPENVDITREPEEALDTVPAHY
  
Inhibitor
Name:
BDBM50082198
Synonyms:
CHEMBL3422666
Type:
Small organic molecule
Emp. Form.:
C23H24N4O2
Mol. Mass.:
388.4623
SMILES:
CCn1cc(C#N)c2cc(Oc3ccc(cc3)N(C)C(=O)[C@@H]3CCCN3)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: