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P04183 | KITH_HUMAN | "Thymidine kinase, cytosolic" (TK1)

3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // TK_N ]

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[ Domain: "LIM domain-like" // TK_C ]

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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 Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL132598 OBDepict O N H 3 C H N O O IC50 = 2.0 nM 488.59 Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Homo sapiens CHEMBL814781 cell-based format
CHEMBL52609 OBDepict OH H O H OH H N O N CH 3 H O IC50 = 26.0 nM 242.23 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL814146 cell-based format
CHEMBL406254 OBDepict OH N N N N H N O H Ki = 50.0 nM 299.33 O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCO Homo sapiens CHEMBL816091 single protein format
CHEMBL788 OBDepict OH H O H OH H N O N I H O Ki = 90.0 nM 354.1 O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1I Homo sapiens CHEMBL816084 single protein format
CHEMBL1269499 OBDepict H 3 C N O N H O H O H F H H HO HO Ki = 90.0 nM 274.25 CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Homo sapiens CHEMBL810054 single protein format
CHEMBL31634 OBDepict Br N O N H O H O H H HO HO Ki = 100.0 nM 333.14 O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1/C=C/Br Homo sapiens CHEMBL816084 single protein format
CHEMBL271475 OBDepict HO H O H HO H N H F O N I H O Ki = 140.0 nM 372.09 O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)cc1I Homo sapiens CHEMBL810054 single protein format
CHEMBL101135 OBDepict CH 3 N O N H O O IC50 = 180.0 nM 438.53 Cc1cn(C/C=CCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Homo sapiens CHEMBL814781 cell-based format
CHEMBL475717 OBDepict OH H O H OH H N H F O N CH 3 H O Ki = 180.0 nM 260.22 Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O Homo sapiens CHEMBL810054 single protein format
CHEMBL52609 OBDepict OH H O H OH H N O N CH 3 H O Ki = 200.0 nM 242.23 Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O Homo sapiens CHEMBL816084 single protein format
CHEMBL2311131 OBDepict OH H H OH H N O N I H O Ki = 210.0 nM 352.13 O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)C2)cc1I Homo sapiens CHEMBL816084 single protein format
CHEMBL341644 OBDepict Br N O N H O H H H HO HO Ki = 220.0 nM 331.17 O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1/C=C/Br Homo sapiens CHEMBL816084 single protein format
CHEMBL422810 OBDepict CH 3 N O N H O O IC50 = 230.0 nM 438.53 Cc1cn(C/C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Homo sapiens CHEMBL814781 cell-based format