Crystallization (Comment) | Organism |
---|---|
in complex with inhibitor 5-[[(2R,3S,4R,5R,6S)-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid. Cocrystal structures reveal the flexibility of the hexokinase 2 protein and that the catalytic site can adopt an induced-fit conformation with inhibitors | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-[([1,1'-biphenyl]-3-carbonyl)amino]-2,6-dideoxy-6-[(2,3-dichlorobenzene-1-sulfonyl)amino]-D-glucopyranose | inhibits in situ glycolysis in a UM-UC-3 bladder tumor cell line; inhibits in situ glycolysis in a UM-UC-3 bladder tumor cell line. Not selective for isoforms hexokinase 1 or hexokinase 2 | Homo sapiens | |
5-[[(2R,3S,4R,5R,6S)-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid | not selective for isoforms hexokinase 1 or hexokinase 2 | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P19367 | - |
- |
Homo sapiens | P52789 | - |
- |
Synonyms | Comment | Organism |
---|---|---|
hexokinase 1 | - |
Homo sapiens |
hexokinase 2 | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00001 | - |
pH not specified in the publication, temperature not specified in the publication | Homo sapiens | 5-[[(2R,3S,4R,5R,6S)-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid | |
0.00002 | - |
pH not specified in the publication, temperature not specified in the publication | Homo sapiens | 5-[[(2R,3S,4R,5R,6S)-5-[(3-bromophenyl)carbonylamino]-3,4,6-tris(oxidanyl)oxan-2-yl]methylsulfamoyl]-2-methyl-furan-3-carboxylic acid | |
0.000025 | - |
pH not specified in the publication, temperature not specified in the publication | Homo sapiens | 2-[([1,1'-biphenyl]-3-carbonyl)amino]-2,6-dideoxy-6-[(2,3-dichlorobenzene-1-sulfonyl)amino]-D-glucopyranose | |
0.000032 | - |
pH not specified in the publication, temperature not specified in the publication | Homo sapiens | 2-[([1,1'-biphenyl]-3-carbonyl)amino]-2,6-dideoxy-6-[(2,3-dichlorobenzene-1-sulfonyl)amino]-D-glucopyranose |