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P52789 | HXK2_HUMAN | Hexokinase-2 (HK2)

3D structures mapped by conservation among orthologs

[ Domain: "Ribonuclease H-like" // Hexokinase_1 ]

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[ Domain: "Ribonuclease H-like" // Hexokinase_2 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL3805205 OBDepict Br N H O H OH O H HO H OH H N H S O O O CH 3 O OH IC50 = 10.0 nM 549.35 Cc1oc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(Br)c3)[C@@H](O)[C@@H]2O)cc1C(=O)O Homo sapiens CHEMBL3807034 assay format
CHEMBL3805905 OBDepict O N H H OH O H OH H HO H N H S O O Cl Cl IC50 = 25.0 nM 567.45 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3806132 OBDepict Cl S N H O H OH O H OH H HO H N H S O O Cl Cl IC50 = 40.0 nM 531.82 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1ccc(Cl)s1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805734 OBDepict O N H H OH O H HO H OH H N H S O O O OH IC50 = 50.0 nM 542.57 O=C(O)c1cccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3806095 OBDepict Cl Cl S N H O O H OH O H HO H HO H N H S O O Cl Cl IC50 = 50.0 nM 596.29 O=S(=O)(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805148 OBDepict O N H H OH O H OH H HO H N H S O O Cl IC50 = 100.0 nM 533.0 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2ccccc2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805398 OBDepict O N H H OH O H OH H HO H N H S O O N Cl IC50 = 100.0 nM 533.99 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cnccc2Cl)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3806069 OBDepict N S NH O O H O H HO OH H HO H N H O IC50 = 130.0 nM 523.57 N#Cc1ccc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(-c4ccccc4)c3)[C@@H](O)[C@@H]2O)cc1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3804874 OBDepict _ O + N O S N H O O H OH O H HO H HO H N H S O O Cl Cl IC50 = 130.0 nM 572.4 O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C(O)O[C@H](CNS(=O)(=O)c3cccc(Cl)c3Cl)[C@@H](O)[C@@H]2O)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805459 OBDepict Cl S S HN O O H OH O H HO H HO H N H S O O Cl Cl IC50 = 130.0 nM 567.88 O=S(=O)(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](O)[C@@H]1O)c1ccc(Cl)s1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805598 OBDepict Cl S HN O O H O H HO OH H OH H N H O IC50 = 320.0 nM 533.0 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2cccc(Cl)c2)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3806028 OBDepict CH 3 O O CH 3 O S NH O O H O H OH HO H HO H N H O Br IC50 = 630.0 nM 563.38 COC(=O)c1cc(S(=O)(=O)NC[C@H]2OC(O)[C@H](NC(=O)c3cccc(Br)c3)[C@@H](O)[C@@H]2O)oc1C Homo sapiens CHEMBL3807034 assay format
CHEMBL3804930 OBDepict N N H O F F F H OH O H OH H HO H HO IC50 = 790.0 nM 452.39 N#Cc1ccc(-c2cc(C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)cc(C(F)(F)F)c2)cc1 Homo sapiens CHEMBL3807034 assay format
CHEMBL3805753 OBDepict O N H H OH O H OH H HO H N H S O O IC50 = 790.0 nM 498.56 O=C(N[C@H]1C(O)O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@@H]1O)c1cccc(-c2ccccc2)c1 Homo sapiens CHEMBL3807034 assay format