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P11387 | TOP1_HUMAN | DNA topoisomerase 1 (TOP1)

3D structures mapped by conservation among orthologs

[ Domain: "DNA breaking-rejoining enzymes" // Topoisom_I_N ]

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[ Domain: "DNA breaking-rejoining enzymes" // Topo_C_assoc ]

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[ Domain: "Eukaryotic DNA topoisomerase I, dispensable insert domain" // KOG0981 ]

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[ Domain: "Beta-strand domain in eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment" // Topoisom_I_N_C ]

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[ Domain: "Alpha-helical domain in eukaryotic DNA topoisomerase I, N-terminal DNA-binding fragment" // Topoisom_I_N_N ]

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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
CHEMBL338843 OBDepict H 3 C OH O O N O N Cl O O IC50 = 11.0 nM 454.87 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCl)OCCO3 Homo sapiens CHEMBL663645 single protein format
CHEMBL335455 OBDepict H 3 C OH O O N O N Cl O O IC50 = 15.0 nM 440.84 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCl)OCO3 Homo sapiens CHEMBL663645 single protein format
CHEMBL4791048 OBDepict NH 2 N N H N O N N N IC50 = 24.0 nM 411.47 Nc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1 Homo sapiens CHEMBL4772332 cell-based format
CHEMBL13935 OBDepict H 3 C OH O O N O N CH 3 N Br IC50 = 28.0 nM 442.27 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cnc(Br)cc1c2C Homo sapiens CHEMBL663649 single protein format
CHEMBL4454135 OBDepict CH 3 O N N H N O N N N IC50 = 29.0 nM 426.48 COc1ccc(-c2ccc3ncc(-c4nnco4)c(NCCCn4ccnc4)c3c2)cc1 Homo sapiens CHEMBL4341304 cell-based format
CHEMBL286882 OBDepict OH O OH N OH OH N H OH O HN O OH IC50 = 30.0 nM 519.47 O=C1NC(=O)c2c1c1c3ccc(O)cc3[nH]c1c1c2c2ccc(O)cc2n1C1OC(CO)C(O)C(O)C1O Homo sapiens CHEMBL827216 single protein format
CHEMBL13349 OBDepict CH 3 HO O O N O N N CH 3 HN NH 2 IC50 = 33.0 nM 419.44 CCc1c2c(nc3cnc(C(=N)N)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663650 single protein format
CHEMBL10741 OBDepict CH 3 HO O O N O N CH 3 IC50 = 38.0 nM 362.39 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(C)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL2114243 OBDepict H 3 C OH O O N O N O NH 2 O IC50 = 48.0 nM 407.38 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)c4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL90636 OBDepict H 3 C OH O O N O N O Cl O IC50 = 61.0 nM 426.81 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)c4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL52057 OBDepict H 3 C OH O O N O N O O IC50 = 67.0 nM 392.37 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL13746 OBDepict HO NH HN N N H 3 C N O HO O H 3 C O IC50 = 71.0 nM 435.44 CCc1c2c(nc3cnc(C(=N)NO)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663650 single protein format
CHEMBL90761 OBDepict H 3 C OH O O N O N O NH 2 O IC50 = 76.0 nM 407.38 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)c4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL307794 OBDepict H 3 C OH O O N O N O O IC50 = 78.0 nM 392.37 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL663645 single protein format
CHEMBL2114244 OBDepict CH 3 HO O O N O N Cl IC50 = 86.0 nM 382.8 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL422886 OBDepict CH 3 HO O O N O N + N O O OH IC50 = 100.0 nM 514.51 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1cccc(CO)c1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL273862 OBDepict H 3 C OH O O N O N OH IC50 = 110.0 nM 364.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(O)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL274070 OBDepict CH 3 HO O O N O N NH 2 IC50 = 110.0 nM 363.37 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL90296 OBDepict CH 3 HO O O N O N Cl Cl IC50 = 110.0 nM 417.25 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)c(Cl)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL273734 OBDepict CH 3 HO O O N O N N CH 3 Br IC50 = 122.0 nM 456.3 CCc1c2c(nc3cnc(Br)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663649 single protein format
CHEMBL91051 OBDepict H 3 C OH O O N O N Br IC50 = 130.0 nM 427.25 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Br)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL445914 OBDepict CH 3 HO O O N O N + N O O N IC50 = 140.0 nM 485.48 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccncc1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL2115019 OBDepict H 3 C OH O O N O N Cl IC50 = 140.0 nM 382.8 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(Cl)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL102252 OBDepict H 3 C OH O O N O N NH 2 IC50 = 140.0 nM 363.37 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL13998 OBDepict H 3 C OH O O N O N CH 3 N N IC50 = 143.0 nM 388.38 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cnc(C#N)cc1c2C Homo sapiens CHEMBL663649 single protein format
CHEMBL2114245 OBDepict H 3 C OH O O N O N O + N O O _ O IC50 = 150.0 nM 437.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL303935 OBDepict CH 3 HO O O N O N O N IC50 = 150.0 nM 389.37 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4ncoc4cc3nc2-1 Homo sapiens CHEMBL813219 single protein format
CHEMBL349601 OBDepict CH 3 HO O O N O N N O O N IC50 = 160.0 nM 472.46 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2Cn1ccnc1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL90413 OBDepict CH 3 HO O O N O N F IC50 = 160.0 nM 366.35 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(F)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL13848 OBDepict CH 3 HO O O N O N N CH 3 H 2 N IC50 = 167.0 nM 406.44 CCc1c2c(nc3cnc(CN)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663649 single protein format
CHEMBL67115 OBDepict H 3 C OH O O N O N OH NH 2 IC50 = 170.0 nM 379.37 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(N)c(O)cc3nc2-1 Homo sapiens CHEMBL813219 single protein format
CHEMBL350118 OBDepict CH 3 HO O O N O N + N O O N IC50 = 180.0 nM 499.5 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccncc1)OCCO3 Homo sapiens CHEMBL663642 single protein format
CHEMBL91104 OBDepict CH 3 HO O O N O N Cl IC50 = 190.0 nM 382.8 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL275134 OBDepict H 3 C OH O O N O N CH 3 + N _ O NH 2 IC50 = 190.0 nM 408.41 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1c[n+]([O-])c(CN)cc1c2C Homo sapiens CHEMBL663650 single protein format
CHEMBL423808 OBDepict CH 3 HO O O N O N + N O O IC50 = 190.0 nM 498.52 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCCO3 Homo sapiens CHEMBL663642 single protein format
CHEMBL350270 OBDepict CH 3 HO O O N O N + N O N O IC50 = 190.0 nM 485.48 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccn1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL163007 OBDepict H 3 C OH O O N O N N O O N IC50 = 200.0 nM 486.48 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2Cn1ccnc1)OCCO3 Homo sapiens CHEMBL663642 single protein format
CHEMBL162904 OBDepict CH 3 HO O O N O N + N O O IC50 = 210.0 nM 484.49 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccc1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL13227 OBDepict H 3 C OH O O N O N CH 3 + N _ O HN O O CH 3 H 3 C CH 3 IC50 = 217.0 nM 508.53 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1c[n+]([O-])c(CNC(=O)OC(C)(C)C)cc1c2C Homo sapiens CHEMBL663649 single protein format
CHEMBL329664 OBDepict H 3 C OH O O N O N O + N O O _ O IC50 = 220.0 nM 437.36 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c4c(cc3nc2-1)OCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL163006 OBDepict H 3 C OH O O N O N N O O + N CH 3 IC50 = 220.0 nM 487.49 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2Cn1cc[n+](C)c1)OCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL276460 OBDepict CH 3 HO O O N O N CH 3 N H 2 N IC50 = 232.0 nM 392.42 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cnc(CN)cc1c2C Homo sapiens CHEMBL663650 single protein format
CHEMBL163162 OBDepict CH 3 HO O O N O N + N O N O IC50 = 250.0 nM 499.5 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccccn1)OCCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL540569 OBDepict H 2 N NH O O O N N O O HO H 3 C O ClH IC50 = 260.0 nM 500.9 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)c4c(cc3nc2-1)OCO4.Cl Homo sapiens CHEMBL873882 cell-based format
CHEMBL13787 OBDepict CH 3 HO O O N O N N CH 3 N IC50 = 268.0 nM 402.41 CCc1c2c(nc3cnc(C#N)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663649 single protein format
CHEMBL2115014 OBDepict H 3 C OH O O N O N CH 3 IC50 = 300.0 nM 362.39 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL12926 OBDepict CH 3 HO O O N O N N CH 3 IC50 = 336.0 nM 377.4 CCc1c2c(nc3cnccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL663649 single protein format
CHEMBL159322 OBDepict HO + N N N O O O O HO H 3 C O IC50 = 340.0 nM 528.54 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1ccc(CO)cc1)OCCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL314950 OBDepict H 3 C OH O O N O N F IC50 = 370.0 nM 366.35 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(F)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL13495 OBDepict CH 3 HO O O N O N N IC50 = 383.0 nM 349.35 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccncc3nc2-1 Homo sapiens CHEMBL663649 single protein format
CHEMBL47027 OBDepict O N H OH OH NH OH O HO OH OH Ki = 400.0 nM 412.35 O=C(Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL872487 single protein format
CHEMBL545250 OBDepict H 2 N O O CH 3 O O N O N O O ClH IC50 = 430.0 nM 485.88 CCC1(OC(=O)CN)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCO4.Cl Homo sapiens CHEMBL873882 cell-based format
CHEMBL315269 OBDepict CH 3 HO O O N O N NH 2 IC50 = 440.0 nM 363.37 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL89887 OBDepict CH 3 HO O O N O N O O IC50 = 470.0 nM 406.39 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc4c(cc3nc2-1)OCCO4 Homo sapiens CHEMBL873882 cell-based format
CHEMBL13523 OBDepict NH 2 N N CH 3 N O HO O H 3 C O IC50 = 505.0 nM 416.44 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cnc(C#CCN)cc1c2C Homo sapiens CHEMBL663649 single protein format
CHEMBL350553 OBDepict H 3 C OH O O N O N N O O + N CH 3 IC50 = 520.0 nM 501.52 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2Cn1cc[n+](C)c1)OCCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL90436 OBDepict H 3 C OH O _ O N HO O N O O + Na IC50 = 550.0 nM 432.36 CCC(O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3cc4c(cc3nc1-2)OCO4.[Na+] Homo sapiens CHEMBL873882 cell-based format
CHEMBL558618 OBDepict H 2 N NH O N N O O HO H 3 C O ClH IC50 = 570.0 nM 456.89 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(NC(=O)CN)cccc3nc2-1.Cl Homo sapiens CHEMBL873882 cell-based format
CHEMBL423981 OBDepict CH 3 HO O O N O N + N O O OH IC50 = 600.0 nM 528.54 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2C[n+]1cccc(CO)c1)OCCO3 Homo sapiens CHEMBL663641 single protein format
CHEMBL2115022 OBDepict H 3 C OH O O N O N + N O _ O IC50 = 640.0 nM 393.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc([N+](=O)[O-])ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL3426919 OBDepict OH O IC50 = 670.0 nM 258.36 O=C(O)CCC/C=CCC/C=CCc1ccccc1 Homo sapiens CHEMBL3429419 single protein format
CHEMBL354432 OBDepict CH 3 O O N N O O O O OH CH 3 O IC50 = 700.0 nM 478.46 CCOC(=O)c1c2c(nc3cc4c(cc13)OCCO4)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC Homo sapiens CHEMBL663648 single protein format
CHEMBL65 OBDepict CH 3 HO O O N O N IC50 = 700.0 nM 348.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 Homo sapiens CHEMBL663649 single protein format
CHEMBL3426918 OBDepict CH 3 O OH IC50 = 810.0 nM 308.51 CCCCCCCCCC/C=CCC/C=CCCCC(=O)O Homo sapiens CHEMBL3429419 single protein format
CHEMBL2114241 OBDepict H 3 C OH O _ O N HO O N O O + Na IC50 = 840.0 nM 432.36 CC[C@@](O)(C(=O)[O-])c1cc2n(c(=O)c1CO)Cc1cc3cc4c(cc3nc1-2)OCO4.[Na+] Homo sapiens CHEMBL873882 cell-based format
CHEMBL87791 OBDepict CH 3 HO O O N O N OH IC50 = 870.0 nM 364.36 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL47027 OBDepict O N H OH OH NH OH O HO OH OH IC50 = 900.0 nM 412.35 O=C(Nc1ccccc1NC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1 Homo sapiens CHEMBL669815 single protein format
CHEMBL93068 OBDepict CH 3 HO O O N O N OH IC50 = 900.0 nM 364.36 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(O)cccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL463437 OBDepict CH 3 O OH IC50 = 900.0 nM 406.7 CCCCCCCCCCCCCCCCC/C=CCC/C=CCCCC(=O)O Homo sapiens CHEMBL1008109 single protein format
CHEMBL13707 OBDepict CH 3 O O N N CH 3 N O OH O CH 3 O IC50 = 949.0 nM 449.46 CCOC(=O)c1cc2c(CC)c3c(nc2cn1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC Homo sapiens CHEMBL663649 single protein format
CHEMBL84 OBDepict CH 3 HO O O N O N HO N CH 3 CH 3 IC50 = 1000.0 nM 421.45 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format
CHEMBL837 OBDepict CH 3 HO O O N O N CH 3 HO IC50 = 1000.0 nM 392.41 CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC Homo sapiens CHEMBL4713657 single protein format
CHEMBL93122 OBDepict H 3 C OH O O N O N O OH IC50 = 1000.0 nM 392.37 CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(C(=O)O)ccc3nc2-1 Homo sapiens CHEMBL873882 cell-based format