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P78527 | PRKDC_HUMAN | DNA-dependent protein kinase catalytic subunit (PRKDC)

3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // UNK_F_TYPE ]

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[ Domain: "ARM repeat" // CRM1_C ]

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[ Domain: "ARM repeat" // CLASP_N_2 ]

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[ Domain: "Protein kinase" // PI3_PI4_kinase ]

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[ Domain: "FATC domain" // FATC_like ]

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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
CHEMBL4867931 OBDepict H 3 C O N H S N O O H 2 N O HN IC50 = -1000.0 nM 464.55 COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1 Homo sapiens CHEMBL4804374 cell-based format
CHEMBL3646752 OBDepict H 3 C N N N O O CH 3 N H 3 C IC50 = 0.3 nM 372.43 CCCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646750 OBDepict CH 3 O O H 3 C N N N F CH 3 N IC50 = 0.3 nM 376.39 CCn1nc(-c2ccc(C#N)cc2F)c2c3cc(OC)c(OC)cc3ncc21 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646745 OBDepict N N N CH 3 N O O CH 3 N H O F S O O NH 2 IC50 = 0.3 nM 588.62 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(C(=O)NCCS(N)(=O)=O)c1ccc(F)cc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646744 OBDepict N O HN O O O F CH 3 N N N H 3 C N IC50 = 0.3 nM 536.52 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(C(=O)NOCC#N)c1ccc(F)cc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646742 OBDepict N N N H 3 C N O O CH 3 HN O F N CH 3 CH 3 IC50 = 0.3 nM 552.61 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(C(=O)NCCN(C)C)c1ccc(F)cc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3639456 OBDepict CH 3 O O N N N H 3 C N S CH 3 N IC50 = 0.3 nM 517.61 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(-c2csc(C)n2)c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646735 OBDepict CH 3 O O N N N H 3 C N CH 3 CH 3 N IC50 = 0.3 nM 463.54 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(N(C)C)c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646732 OBDepict N N N H 3 C N O O CH 3 N N IC50 = 0.3 nM 446.47 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccnc(C#N)c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646708 OBDepict N N N H 3 C N O O CH 3 N IC50 = 0.3 nM 445.48 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccccc1C#N Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646711 OBDepict CH 3 O O N F F N N H 3 C N IC50 = 0.3 nM 456.45 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)(F)c1ccccc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646755 OBDepict CH 3 O O CH 3 N N N N IC50 = 0.3 nM 370.41 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C3CC3)c2cc1OC Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646712 OBDepict CH 3 O O O O F CH 3 N N N H 3 C N IC50 = 0.3 nM 496.5 COC(=O)C(Oc1cc2c(cc1OC)ncc1c2c(-c2ccc(C#N)cc2)nn1C)c1ccc(F)cc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646718 OBDepict H 3 C O O N S O O H 3 C N N CH 3 N IC50 = 0.3 nM 484.54 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OS(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646719 OBDepict H 3 C O O N P O OH N N CH 3 N IC50 = 0.3 nM 470.43 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OP(=O)(O)c1ccccc1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646722 OBDepict CH 3 O O N N N CH 3 N N O IC50 = 0.3 nM 519.61 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN2CCOCC2)c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3672673 OBDepict NH 2 O S O CH 3 N N N H 3 C O F N IC50 = 0.3 nM 489.53 COc1cc2ncc3c(c2cc1OC(CN)c1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL3672679 OBDepict CH 3 O N N H 3 C N N N CH 3 O F N IC50 = 0.3 nM 428.43 COc1cc2ncc3c(c2cc1-c1ccnn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL3646724 OBDepict CH 3 O O N N N N CH 3 N H N IC50 = 0.3 nM 460.5 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cnc2[nH]ccc2c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3672681 OBDepict N F N O N H 3 C N O N CH 3 CH 3 N F F F IC50 = 0.3 nM 496.42 COc1cc2ncc3c(c2cc1-c1cc(C(F)(F)F)nn1C)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL3672684 OBDepict CH 3 O N N N H 3 C O F N IC50 = 0.3 nM 450.47 COc1cc2ncc3c(c2cc1/C=C/c1ccccc1)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL3672683 OBDepict CH 3 O N N N S H 3 C O F N IC50 = 0.3 nM 458.52 COc1cc2ncc3c(c2cc1CCc1ccsc1)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL3667683 OBDepict CH 3 O NH O O O F CH 3 N N N O CH 3 F N IC50 = 0.3 nM 573.56 COCCNC(=O)C(Oc1cc2c(cc1OC)ncc1c2n(-c2ccc(C#N)cc2F)c(=O)n1C)c1ccc(F)cc1 Homo sapiens CHEMBL3706254 single protein format
CHEMBL3646768 OBDepict H 3 C N N N N CH 3 N O H 3 C O H 3 C IC50 = 0.3 nM 431.54 CCN1CCN(c2ccc(-c3nn(C)c4cnc5cc(OC)c(OC)cc5c34)cc2)CC1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646761 OBDepict CH 3 O O CH 3 N N N O NH 2 N IC50 = 0.3 nM 387.4 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(N)=O)c2cc1OC Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646760 OBDepict CH 3 O O CH 3 N N N O OH N IC50 = 0.3 nM 388.38 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(=O)O)c2cc1OC Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646758 OBDepict CH 3 O O H 3 C N N N N N IC50 = 0.3 nM 355.36 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C#N)c2cc1OC Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646756 OBDepict H 2 C N N N O O CH 3 N H 3 C IC50 = 0.3 nM 370.41 C=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646726 OBDepict CH 3 O O N N N H 3 C NH 2 N IC50 = 0.3 nM 449.51 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cccc(CN)c1 Homo sapiens CHEMBL3705950 single protein format
CHEMBL3646753 OBDepict CH 3 O O CH 3 N N N H 3 C CH 3 N IC50 = 0.3 nM 372.43 COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(C)C)c2cc1OC Homo sapiens CHEMBL3705950 single protein format
CHEMBL1241776 OBDepict H N N O N N NH 2 N N H 3 C CH 3 IC50 = 0.5 nM 321.34 CC(C)n1nc(-c2ccc3nc[nH]c(=O)c3c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL1765602 OBDepict NH 2 N N N O F F F IC50 = 0.5 nM 432.41 Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1 Homo sapiens CHEMBL1768760 single protein format
CHEMBL188678 OBDepict O O N O S Ki = 0.65 nM 413.5 O=c1cc(N2CCOCC2)oc2c(-c3cccc4c3sc3ccccc34)cccc12 Homo sapiens CHEMBL858719 single protein format
CHEMBL4439259 OBDepict H 3 C HN N N N N N N N CH 3 O O IC50 = 0.7 nM 380.41 Cc1cc2ncnn2cc1Nc1ncc2c(n1)n(C1CCOCC1)c(=O)n2C Homo sapiens CHEMBL4403969 assay format
CHEMBL3672674 OBDepict H 2 N O O F CH 3 N N N CH 3 O F N IC50 = 0.75 nM 501.49 COc1cc2ncc3c(c2cc1OC(CN)c1ccc(F)cc1)n(-c1ccc(C#N)cc1F)c(=O)n3C Homo sapiens CHEMBL3706254 single protein format
CHEMBL2420287 OBDepict CH 3 N O N O S O N O O IC50 = 2.0 nM 583.71 CC(=O)N1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420254 OBDepict H 3 C O O N H H OH O S O N O O IC50 = 2.0 nM 574.66 COC(=O)[C@H](CO)NCCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420289 OBDepict O O N O S O N H N IC50 = 2.0 nM 549.65 O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCCNc4cccnc4)c4c3sc3ccccc34)cccc12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL3913354 OBDepict OH N N O N O IC50 = 2.0 nM 347.37 Oc1cccc(-c2cc3c(oc4ncccc43)c(N3CCOCC3)n2)c1 Homo sapiens CHEMBL3861266 single protein format
CHEMBL4073785 OBDepict O N O N CH 3 O S IC50 = 2.0 nM 428.51 Cc1ccc2c(=O)nc(N3CCOCC3)oc2c1-c1cccc2c1sc1ccccc12 Homo sapiens CHEMBL4046821 single protein format
CHEMBL573339 OBDepict OH N N N O N O IC50 = 2.0 nM 348.36 Oc1cccc(-c2nc(N3CCOCC3)c3oc4ncccc4c3n2)c1 Homo sapiens CHEMBL3377243 single protein format
CHEMBL1738719 OBDepict F S HN O O Cl N N N O IC50 = 2.3 nM 498.97 O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1 Homo sapiens CHEMBL1919869 single protein format
CHEMBL1615189 OBDepict H 3 C NH O N S N N H Cl S O O F IC50 = 3.0 nM 476.94 CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2s1 Homo sapiens CHEMBL1775872 single protein format
CHEMBL2420255 OBDepict H 2 N O N CH 3 O S O N O O IC50 = 3.0 nM 543.65 CN(CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12)CC(N)=O Homo sapiens CHEMBL2423446 single protein format
CHEMBL3797933 OBDepict NH 2 O N N N NH 2 N N IC50 = 3.0 nM 349.4 Nc1nc2cc(-c3nn(CC4CCCC4)c4ncnc(N)c34)ccc2o1 Homo sapiens CHEMBL3803007 single protein format
CHEMBL2420253 OBDepict CH 3 N CH 3 N O S O N O O IC50 = 3.0 nM 583.75 CC(C)N1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1914743 OBDepict F S HN O O Cl N N N N O IC50 = 3.4 nM 499.96 O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1 Homo sapiens CHEMBL1919869 single protein format
CHEMBL2420439 OBDepict O N H N S H CH 3 O H CH 3 O N O O IC50 = 4.0 nM 583.71 C[C@H]1CN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)C[C@@H](C)O1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1086377 OBDepict CH 3 N N N H O S O N O O IC50 = 5.0 nM 582.73 CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL1118579 single protein format
CHEMBL4565988 OBDepict Cl HN CH 3 H N O H 2 N N IC50 = 5.0 nM 402.89 C[C@@H](Nc1c(C(N)=O)cnc2ccc(-c3cccnc3)cc12)c1ccc(Cl)cc1 Homo sapiens CHEMBL4478190 single protein format
CHEMBL2420285 OBDepict CH 3 N N O CH 3 CH 3 S O N O O IC50 = 5.0 nM 557.72 CN(C)CCN(C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420444 OBDepict O N H N S N O CH 3 O N O O IC50 = 5.0 nM 596.71 CC(=O)N1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL4870563 OBDepict F F N N N N CH 3 O IC50 = 5.0 nM 394.43 Cn1nc(C2CCOCC2)c2c3cc(-c4cncc(C(F)F)c4)ccc3ncc21 Homo sapiens CHEMBL4839363 single protein format
CHEMBL3393500 OBDepict O O N CH 3 O S IC50 = 5.0 nM 427.53 Cc1ccc2c(=O)cc(N3CCOCC3)oc2c1-c1cccc2c1sc1ccccc12 Homo sapiens CHEMBL3395882 single protein format
CHEMBL2420310 OBDepict OH N N N H O S O N O O IC50 = 5.0 nM 598.73 O=C(CN1CCN(CCO)CC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1766797 OBDepict CH 3 N H 3 C S CH 3 O O N N H 2 N NH O Ki = 6.0 nM 439.54 CC(CN(C)C)S(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1 Homo sapiens CHEMBL2183423 single protein format
CHEMBL2420264 OBDepict CH 3 O O NH H HO O O S O N O O IC50 = 6.0 nM 588.64 COC(=O)[C@H](CO)NC(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420426 OBDepict OH N HN O OH S O N O O IC50 = 6.0 nM 573.67 O=C(CN(CCO)CCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1796761 OBDepict CH 3 N H O O S N O CH 3 Cl N O CH 3 H 3 C IC50 = 6.0 nM 498.0 CNC(=O)c1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccc(C(=O)N(C)C)cc3Cl)sc1-2 Homo sapiens CHEMBL1799694 single protein format
CHEMBL4856420 OBDepict H N O N N H H H O H H 3 C Ki = 7.0 nM 365.48 C[C@@H]1CN(c2cc(N3C[C@@H]4C[C@@H]4[C@@H]3Cc3ccccc3)[nH]c(=O)c2)CCO1 Homo sapiens CHEMBL4823707 subcellular format
CHEMBL2420443 OBDepict H 3 C O N H N H O S O N O O IC50 = 7.0 nM 543.65 COCCNCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420441 OBDepict O N H N H S N O NH O N O O IC50 = 7.0 nM 597.7 O=C(CNCCN1CCNC1=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420284 OBDepict O O N O S O N H N O IC50 = 7.0 nM 585.73 O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCCNCCN4CCOCC4)c4c3sc3ccccc34)cccc12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420281 OBDepict CH 3 N N O S O N O O IC50 = 7.0 nM 555.7 CN1CCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420296 OBDepict O N H N H S O O N O O IC50 = 7.0 nM 583.71 O=C(CCNCC1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1669154 OBDepict O N H N O O O N O O IC50 = 8.0 nM 519.6 O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1OCC1CC1 Homo sapiens CHEMBL1670118 single protein format
CHEMBL2420288 OBDepict H 3 C N CH 3 O S O N O O IC50 = 8.0 nM 500.62 CN(C)CCOc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420303 OBDepict H 3 C O N H N H O S O N O O IC50 = 8.0 nM 557.67 COCCNCCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420294 OBDepict H 2 N N H O S O N O O IC50 = 8.0 nM 499.59 NCCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420279 OBDepict O O N O S O N O IC50 = 8.0 nM 542.66 O=c1cc(N2CCOCC2)oc2c(-c3ccc(OCCN4CCOCC4)c4c3sc3ccccc34)cccc12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420314 OBDepict O N H N H S N O N O O IC50 = 8.0 nM 576.68 O=C(CNCc1ccncc1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420428 OBDepict OH N H HN O S O N O O IC50 = 8.0 nM 529.62 O=C(CNCCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1233882 OBDepict CH 3 N H 3 C N N N H 2 N N IC50 = 8.0 nM 304.36 CC(C)n1nc(-c2ccc3ncccc3c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL2420315 OBDepict O N H N S N H 3 C CH 3 O N O O IC50 = 9.0 nM 596.75 CC(C)N1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420299 OBDepict O N H N S H CH 3 O H H 3 C O N O O IC50 = 9.0 nM 597.74 C[C@H]1CN(CCC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)C[C@@H](C)O1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1241944 OBDepict N OH N N NH 2 N N H 3 C CH 3 IC50 = 9.0 nM 294.32 CC(C)n1nc(-c2ccc(C#N)c(O)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL2420321 OBDepict OH N H HN O S O N O O IC50 = 10.0 nM 543.65 O=C(CCNCCO)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420282 OBDepict CH 3 N N O S O N O O IC50 = 10.0 nM 569.73 CN1CCCN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420262 OBDepict O N H O N S O N O O IC50 = 10.0 nM 577.66 O=C(COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12)NCc1ccncc1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420286 OBDepict O O N O S O N H CH 3 O H H 3 C IC50 = 10.0 nM 570.71 C[C@H]1CN(CCOc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)C[C@@H](C)O1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL4875626 OBDepict F F N N N N N IC50 = 10.0 nM 377.4 FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCCC5)n4c3c2)c1 Homo sapiens CHEMBL4839363 single protein format
CHEMBL1242476 OBDepict H N N NH 2 N N NH 2 N N H 3 C CH 3 IC50 = 10.0 nM 308.35 CC(C)n1nc(-c2ccc3c(N)n[nH]c3c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL4869632 OBDepict F F N N N N H O IC50 = 11.0 nM 380.4 FC(F)c1cncc(-c2ccc3ncc4[nH]nc(C5CCOCC5)c4c3c2)c1 Homo sapiens CHEMBL4839363 single protein format
CHEMBL2420323 OBDepict O N H N S O O N O O IC50 = 11.0 nM 555.66 O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420265 OBDepict NH 2 O N H 3 C O O S O N O O IC50 = 11.0 nM 557.63 CN(CC(N)=O)C(=O)COc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420291 OBDepict O N H N S O N O O IC50 = 11.0 nM 581.74 O=C(CCN1CCCCCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL4860779 OBDepict F F N N N N N IC50 = 12.0 nM 391.43 FC(F)c1cncc(-c2ccc3ncc4nnc(C5=CCCCCC5)n4c3c2)c1 Homo sapiens CHEMBL4839363 single protein format
CHEMBL1241299 OBDepict Br OH N N CH 3 H 2 N N N IC50 = 12.0 nM 320.15 Cn1nc(-c2ccc(Br)c(O)c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL2420293 OBDepict H 3 C N H 3 C N H O S O N O O IC50 = 12.0 nM 555.7 CCN(CC)CCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420434 OBDepict H 2 N N H O S O N O O IC50 = 12.0 nM 485.57 NCC(=O)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420277 OBDepict O N H N H S O N N O O IC50 = 12.0 nM 590.7 O=C(CCNCc1ccncc1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420435 OBDepict O N H N H S N O O N O O IC50 = 12.0 nM 598.72 O=C(CNCCN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL2420425 OBDepict CH 3 N N N H O S O N O O IC50 = 12.0 nM 568.7 CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1241676 OBDepict Cl HO N N H 2 N N N IC50 = 13.0 nM 329.79 Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2C1CCCC1 Homo sapiens CHEMBL1243970 single protein format
CHEMBL1241857 OBDepict CH 3 O O N CH 3 HN N N O N IC50 = 13.0 nM 351.37 COc1ccc2c(c1OC)N=C(NC(=O)c1cccnc1)N1CCN=C21 Homo sapiens CHEMBL3377243 single protein format
CHEMBL3393499 OBDepict O N N N O S IC50 = 13.0 nM 413.5 O=c1cc(N2CCOCC2)nc2c(-c3cccc4c3sc3ccccc34)cccn12 Homo sapiens CHEMBL3395882 single protein format
CHEMBL1241949 OBDepict H 2 N N N N H 2 N N N CH 3 H 3 C IC50 = 14.0 nM 319.37 CC(C)n1nc(-c2ccc3nc(N)ccc3c2)c2c(N)ncnc21 Homo sapiens CHEMBL1243970 single protein format
CHEMBL2420436 OBDepict O N H N H S O O N O O IC50 = 14.0 nM 569.68 O=C(CNCC1CCCO1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2sc3ccccc3c12 Homo sapiens CHEMBL2423446 single protein format
CHEMBL1669170 OBDepict O N H N O O N O O IC50 = 14.0 nM 525.61 O=C(CN1CCOCC1)Nc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)cc1-c1ccccc1 Homo sapiens CHEMBL1670118 single protein format
CHEMBL3586573 OBDepict CH 3 N O N N H N CH 3 N N N N H IC50 = 15.0 nM 336.36 CCN1C(=O)CNc2ncc(-c3ccc(-c4nc[nH]n4)nc3C)nc21 Homo sapiens CHEMBL3588378 single protein format