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O00142 | KITM_HUMAN | "Thymidine kinase 2, mitochondrial" (TK2)

3D structures mapped by conservation among orthologs



[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1091988 OBDepict OH H O H N H N N N O N H O Br Cl Ki = 12.0 nM 494.73 O=c1[nH]c(=O)n([C@H]2C[C@H](n3cc(-c4ccc(Cl)cc4)nn3)[C@@H](CO)O2)cc1/C=C/Br Homo sapiens CHEMBL1111772 single protein format
CHEMBL1091988 OBDepict OH H O H N H N N N O N H O Br Cl IC50 = 36.0 nM 494.73 O=c1[nH]c(=O)n([C@H]2C[C@H](n3cc(-c4ccc(Cl)cc4)nn3)[C@@H](CO)O2)cc1/C=C/Br Homo sapiens CHEMBL1111768 single protein format
CHEMBL1090868 OBDepict OH H O H N H N N N O N CH 3 H O Cl Cl IC50 = 42.0 nM 438.27 Cc1cn([C@H]2C[C@H](n3cc(-c4ccc(Cl)c(Cl)c4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL1089867 OBDepict OH H O H N H N N N O N CH 3 H O Cl IC50 = 46.0 nM 403.83 Cc1cn([C@H]2C[C@H](n3cc(-c4ccc(Cl)cc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL1089836 OBDepict H HN H O H N O OH O N CH 3 H O H 3 C Ki = 150.0 nM 339.39 CCCCCC(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO Homo sapiens CHEMBL1111766 single protein format
CHEMBL1090134 OBDepict HO H O H N H N N N O N H 3 C H O IC50 = 150.0 nM 375.43 Cc1cn([C@H]2C[C@H](n3cc(CC4CCCC4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL1091873 OBDepict OH H O H HN H N N H S O N CH 3 H O Cl F F F IC50 = 150.0 nM 478.88 Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL1089805 OBDepict H N H O N H N HO N O N CH 3 H O H 3 C IC50 = 230.0 nM 349.39 CCCCc1cn([C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)nn1 Homo sapiens CHEMBL1111768 single protein format
CHEMBL1091931 OBDepict Br N O N H O H O H N H N OH N IC50 = 250.0 nM 460.29 O=c1[nH]c(=O)n([C@H]2C[C@H](n3cc(-c4ccccc4)nn3)[C@@H](CO)O2)cc1/C=C/Br Homo sapiens CHEMBL1111768 single protein format
CHEMBL220459 OBDepict CH 3 N O N H O O N Ki = 290.0 nM 469.59 Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O Homo sapiens CHEMBL908769 single protein format
CHEMBL1090133 OBDepict OH H O H N H N N N O N CH 3 H O IC50 = 300.0 nM 383.41 Cc1cn([C@H]2C[C@H](n3cc(Cc4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL1090132 OBDepict OH H O H N H N N N O N CH 3 H O IC50 = 320.0 nM 369.38 Cc1cn([C@H]2C[C@H](n3cc(-c4ccccc4)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL1111768 single protein format
CHEMBL219299 OBDepict H 3 C N H O O N O N CH 3 H O IC50 = 390.0 nM 525.65 CNC(=O)c1ccc(C(OCCCCCCn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL908767 single protein format
CHEMBL1091872 OBDepict H 3 C NH O O N O N CH 3 H O IC50 = 400.0 nM 553.7 CNC(=O)c1ccc(C(OCCCCCCCCn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1 Homo sapiens CHEMBL1111766 single protein format
CHEMBL220459 OBDepict CH 3 N O N H O O N IC50 = 470.0 nM 469.59 Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccncc2)c(=O)[nH]c1=O Homo sapiens CHEMBL908767 single protein format
CHEMBL216998 OBDepict CH 3 N O N H O O IC50 = 500.0 nM 468.6 Cc1cn(CCCCCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Homo sapiens CHEMBL908767 single protein format
CHEMBL101135 OBDepict CH 3 N O N H O O Ki = 500.0 nM 438.53 Cc1cn(C/C=CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Homo sapiens CHEMBL908769 single protein format