P50053 | KHK_HUMAN | Ketohexokinase (KHK)
Pfam Domain Table
| Accession | Domain | Range | Color |
|---|---|---|---|
| PF00294 | PfkB - pfkB family carbohydrate kinase | 4~289 |
3D structures mapped by conservation among orthologs
[ Domain: "Ribokinase-like" // PfkB ]
[ Alpha Fold Model ] (go)
Known binders annotated in ChEMBL
| molecule_chembl_id | structure | assay_type | relation | value | unit | mol_wt | smiles | organism | assay_chembl_id | bao_label |
|---|---|---|---|---|---|---|---|---|---|---|
| CHEMBL5402865 |  |
IC50 | = | 0.5 | nM | 426.39 | NC1(c2ccc(-c3nc(N4CC[C@@H]4C(F)(F)F)nc4c3CCC4(F)F)cc2)COC1 | Homo sapiens | CHEMBL5367841 | single protein format |
| CHEMBL2063924 |  |
IC50 | = | 2.0 | nM | 448.6 | CSc1ccccc1Nc1nc(N2CCC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 | Homo sapiens | CHEMBL2065101 | single protein format |
| CHEMBL5432883 |  |
IC50 | = | 4.0 | nM | 390.41 | C[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL5410032 |  |
IC50 | = | 4.0 | nM | 352.36 | C[C@H]1CCN1c1nc(-c2cnn(C3CN(C)C3)c2)cc(C(F)(F)F)n1 | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL5394335 |  |
IC50 | = | 5.0 | nM | 338.34 | C[C@H]1CCN1c1nc(-c2cnn(C3CNC3)c2)cc(C(F)(F)F)n1 | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL4754053 |  |
IC50 | = | 6.0 | nM | 396.37 | C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL4676054 | assay format |
| CHEMBL5426396 |  |
IC50 | = | 6.0 | nM | 447.47 | C[C@H]1CCN1c1nc(-c2cnn(CC(=O)N3CCN(C)CC3)c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL5396410 |  |
IC50 | = | 6.0 | nM | 447.47 | C[C@H]1CCN1c1nc(-c2cnn(C3CCN(C(=O)CN)CC3)c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL5397861 |  |
IC50 | = | 6.0 | nM | 418.47 | CCN1CCC(n2cc(-c3cc(C(F)(F)F)c(C#N)c(N4CC[C@@H]4C)n3)cn2)CC1 | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL5420041 |  |
IC50 | = | 6.0 | nM | 404.44 | C[C@H]1CCN1c1nc(-c2cnn(C3CCN(C)CC3)c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL2017244 |  |
IC50 | = | 7.0 | nM | 426.55 | COCCNc1ncnc2c(Nc3ccccc3SC)nc(N3CCNCC3)nc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL2017248 |  |
IC50 | = | 7.1 | nM | 368.47 | CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(N)ncnc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL2017253 |  |
IC50 | = | 8.0 | nM | 434.57 | CSc1ccccc1Nc1nc(N2CC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL5426875 |  |
IC50 | = | 8.0 | nM | 351.33 | C[C@H]1CCN1c1nc(-c2cnn(CCO)c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |
| CHEMBL2017247 |  |
IC50 | = | 9.8 | nM | 459.58 | CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3ccccn3)ncnc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL2017251 |  |
IC50 | = | 10.0 | nM | 450.62 | CSc1ccccc1Nc1nc(N2CCC(CN)CC2)nc2c(NCC3CC3)ncnc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL2017214 |  |
IC50 | = | 12.0 | nM | 422.56 | CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCC3CC3)ncnc12 | Homo sapiens | CHEMBL2019654 | cell-based format |
| CHEMBL4782925 |  |
IC50 | = | 14.0 | nM | 372.35 | C[C@H]1[C@H](O)CN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)n1 | Homo sapiens | CHEMBL4676055 | assay format |
| CHEMBL4549658 |  |
IC50 | = | 14.0 | nM | 356.35 | C[C@H]1CCN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)cc(C(F)(F)F)n1 | Homo sapiens | CHEMBL4344288 | assay format |
| CHEMBL5438733 |  |
IC50 | = | 14.0 | nM | 307.28 | C[C@H]1CCN1c1nc(-c2cn[nH]c2)cc(C(F)(F)F)c1C#N | Homo sapiens | CHEMBL5377158 | single protein format |