Reaction Details |
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Target | 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 |
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Ligand | BDBM50082122 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1475278 (CHEMBL3425138) |
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IC50 | 36600±n/a nM |
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Citation | Boyd, S; Brookfield, JL; Critchlow, SE; Cumming, IA; Curtis, NJ; Debreczeni, J; Degorce, SL; Donald, C; Evans, NJ; Groombridge, S; Hopcroft, P; Jones, NP; Kettle, JG; Lamont, S; Lewis, HJ; MacFaull, P; McLoughlin, SB; Rigoreau, LJ; Smith, JM; St-Gallay, S; Stock, JK; Turnbull, AP; Wheatley, ER; Winter, J; Wingfield, J Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. J Med Chem58:3611-25 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 |
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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: | MSPEMGELTQTRLQKIWIPHSSGSSRLQRRRGSSIPQFTNSPTMVIMVGLPARGKTYIST
KLTRYLNWIGTPTKVFNLGQYRREAVSYKNYEFFLPDNMEALQIRKQCALAALKDVHNYL
SHEEGHVAVFDATNTTRERRSLILQFAKEHGYKVFFIESICNDPGIIAENIRQVKLGSPD
YIDCDREKVLEDFLKRIECYEVNYQPLDEELDSHLSYIKIFDVGTRYMVNRVQDHIQSRT
VYYLMNIHVTPRSIYLCRHGESELNIRGRIGGDSGLSVRGKQYAYALANFIQSQGISSLK
VWTSHMKRTIQTAEALGVPYEQWKALNEIDAGVCEEMTYEEIQEHYPEEFALRDQDKYRY
RYPKGESYEDLVQRLEPVIMELERQENVLVICHQAVMRCLLAYFLDKSSDELPYLKCPLH
TVLKLTPVAYGCKVESIYLNVEAVNTHREKPENVDITREPEEALDTVPAHY
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BDBM50082122 |
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n/a |
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Name | BDBM50082122 |
Synonyms: | CHEMBL3421732 |
Type | Small organic molecule |
Emp. Form. | C24H27N5O |
Mol. Mass. | 401.5041 |
SMILES | CC(C)Cn1cc(C#N)c2cc(Nc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12 |r| |
Structure |
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