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P11388 | TOP2A_HUMAN | DNA topoisomerase 2-alpha (TOP2A)

3D structures mapped by conservation among orthologs

[ Domain: "winged" // DNA_topoisoIV_1st ]

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[ Domain: "Toprim domain" // DNA_gyraseB_C ]

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[ Domain: "Ribosomal protein S5 domain 2-like" // DNA_gyraseB ]

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[ Domain: "ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase" // HATPase_c_1 ]

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[ Domain: "SSHS domain in type II DNA topoisomerase" // TOPRIM_C ]

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[ Domain: "a+b domain in type II DNA topoisomerase" // DNA_topoisoIV_2nd_1 ]

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[ Domain: "alpha-helical domain in type II DNA topoisomerase" // DNA_topoisoIV_3rd ]

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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
CHEMBL346068 OBDepict F N O O N H NH 2 O OH IC50 = 60.0 nM 481.48 N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2c-4ccc3c2ccc2ccccc23)C1 Homo sapiens CHEMBL1050089 single protein format
CHEMBL2296491 OBDepict H 3 C HN O S N H 3 C O N IC50 = 76.0 nM 377.47 CCC(=O)NCCC1=C(SC)C(=O)c2nccc3c2c1nc1ccccc13 Homo sapiens CHEMBL3074820 single protein format
CHEMBL2296492 OBDepict CH 3 O N N H NH O CH 3 H 3 C IC50 = 125.0 nM 373.46 COc1cc(CCNC(=O)C=C(C)C)c2c3c(ccnc13)-c1ccccc1N2 Homo sapiens CHEMBL3074820 single protein format
CHEMBL2296490 OBDepict H 3 C O O N N NH O CH 3 IC50 = 132.0 nM 347.37 COC1=C(CCNC(C)=O)c2nc3ccccc3c3ccnc(c23)C1=O Homo sapiens CHEMBL3074820 single protein format
CHEMBL4463643 OBDepict H 3 C NH O OH N O IC50 = 200.0 nM 318.33 CC(=O)Nc1ccc2c(-c3cc4ccccc4o3)ccnc2c1O Homo sapiens CHEMBL4324042 single protein format
CHEMBL164 OBDepict OH OH O O HO HO OH HO IC50 = 390.0 nM 318.24 O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12 Homo sapiens CHEMBL3056567 single protein format
CHEMBL2296496 OBDepict O N H O N CH 3 O H 3 C N IC50 = 592.0 nM 399.45 C/C=C(C)C(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13 Homo sapiens CHEMBL3074820 single protein format
CHEMBL2296497 OBDepict O N H O N O CH 3 CH 3 N IC50 = 592.0 nM 399.45 CC(C)=CC(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13 Homo sapiens CHEMBL3074820 single protein format
CHEMBL4527023 OBDepict O NH N OH N O OH F IC50 = 600.0 nM 411.43 O=C(CCN1CCOCC1)Nc1ccc2c(-c3cc(F)ccc3O)ccnc2c1O Homo sapiens CHEMBL4324042 single protein format
CHEMBL2296494 OBDepict O N H O N O OH CH 3 CH 3 N IC50 = 639.0 nM 417.47 CC(C)(O)CC(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13 Homo sapiens CHEMBL3074820 single protein format
CHEMBL1305588 OBDepict N H N N N N IC50 = 680.0 nM 267.34 c1ccc2c(c1)nc(NC1CCCCC1)c1nncn12 Homo sapiens CHEMBL4271923 single protein format
CHEMBL155344 OBDepict F N O O N H NH 2 O OH IC50 = 700.0 nM 481.48 N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2Oc2c-4ccc3c2ccc2ccccc23)C1 Homo sapiens CHEMBL1050089 single protein format
CHEMBL4552030 OBDepict CH 3 NH O OH N F F F IC50 = 700.0 nM 346.31 CC(=O)Nc1ccc2c(-c3ccc(C(F)(F)F)cc3)ccnc2c1O Homo sapiens CHEMBL4324042 single protein format
CHEMBL4288104 OBDepict CH 3 O N H O S N N N N N N IC50 = 850.0 nM 405.44 COc1cccc(NC(=O)CSc2nnc3c4nncn4c4ccccc4n23)c1 Homo sapiens CHEMBL4271923 single protein format
CHEMBL3759668 OBDepict N N N N N H 2 N N N H N CH 3 H 3 C IC50 = 900.0 nM 399.46 CN(C)CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21 Homo sapiens CHEMBL3760936 single protein format
CHEMBL2424901 OBDepict CH 3 N N N O Br O O IC50 = 920.0 nM 492.37 CCCCCc1ccc(-c2cn(C3COC4=C(Br)C(=O)C(=O)c5cccc3c54)nn2)cc1 Homo sapiens CHEMBL2427070 single protein format
CHEMBL359744 OBDepict OH O HO H O HO OH H O O O H NH 2 H CH 3 H OH O CH 3 ClH IC50 = 940.0 nM 579.99 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl Homo sapiens CHEMBL4624651 single protein format
CHEMBL4286850 OBDepict O HN S N N N F N N N IC50 = 940.0 nM 393.41 O=C(CSc1nnc2c3nncn3c3ccccc3n12)Nc1ccc(F)cc1 Homo sapiens CHEMBL4271923 single protein format
CHEMBL4064127 OBDepict H 2 N O N N F O OH O H H 2 N IC50 = 970.0 nM 396.38 Nc1ccc2c(c1)Oc1c(N3CC[C@H](N)C3)c(F)cc3c(=O)c(C(=O)O)cn-2c13 Homo sapiens CHEMBL4041866 single protein format
CHEMBL4636680 OBDepict CH 3 H 3 C H 3 C S NH O O O O IC50 = 980.0 nM 419.5 Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c(C)c1 Homo sapiens CHEMBL4624651 single protein format
CHEMBL4061116 OBDepict NH 2 N H HO O OH O O ClH ClH IC50 = 1000.0 nM 431.32 Cl.Cl.NCCCNCC(O)COc1cc(O)c2c(=O)c3ccccc3oc2c1 Homo sapiens CHEMBL4047200 assay format
CHEMBL53463 OBDepict OH O HO H O HO OH H O O O H NH 2 H CH 3 H OH O CH 3 IC50 = 1000.0 nM 543.53 COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 Homo sapiens CHEMBL996010 assay format