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P29597 | TYK2_HUMAN | Non-receptor tyrosine-protein kinase TYK2 (TYK2)

3D structures mapped by conservation among orthologs

[ Domain: "Acyl-CoA binding protein-like" // B41_C ]

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[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "SH2" // SH2_1 ]

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[ Domain: "PH domain-like" // FERM_C_TYK2 ]

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[ Domain: "Ubiquitin-like" // B41_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
CHEMBL4855730 OBDepict F NH S N O O H 2 N O HN IC50 = -23900.0 nM 452.51 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804508 cell-based format
CHEMBL4868141 OBDepict H 2 N N O O HN NH S O O IC50 = -3500.0 nM 532.67 Nc1ncc(-c2ccc(NS(=O)(=O)C3CC3)cc2OC2CCCCC2)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804508 cell-based format
CHEMBL4460368 OBDepict H 3 C NH N N N H N HN O O N H N H F N H 3 C H 3 C Ki = 0.015 nM 451.47 CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4442827 OBDepict H 3 C NH N N N H N HN O O N H N H F N H 3 C Ki = 0.018 nM 449.45 CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4789639 OBDepict CH 3 O N H N N N NH N H O F O D D D Ki = 0.02 nM 439.47 [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC Homo sapiens CHEMBL4775562 single protein format
CHEMBL4435170 OBDepict CH 3 O N H N N N N H 3 C N NH N H O O D D D Ki = 0.02 nM 425.47 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Homo sapiens CHEMBL4331751 cell-based format
CHEMBL4571920 OBDepict H 3 C NH N N N H N HN O O N H N H F F Ki = 0.024 nM 452.43 CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4439957 OBDepict H 3 C NH N N N H N HN O O N H N H F F Ki = 0.035 nM 452.43 CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4434711 OBDepict H 3 C NH N N N H N HN O O N OH H 3 C H 3 C Ki = 0.07 nM 473.54 CNc1cc(Nc2cccn(-c3ccc(C(C)(C)O)cc3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4532948 OBDepict H 3 C NH N N N H N HN O O N H N H F Ki = 0.086 nM 434.44 CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)N[C@@H]3C[C@@H]3F)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4443010 OBDepict H 3 C NH N N N H N HN O O N N N H 3 C Ki = 0.091 nM 431.46 CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4435047 OBDepict H 3 C NH N N N H N HN O O N N F Ki = 0.12 nM 434.44 CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4438107 OBDepict H 3 C NH N N N H N N H O O N CH 3 H 3 C N Ki = 0.13 nM 418.46 CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC(C)C)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4293907 OBDepict CH 3 HN N N N H N N H O H 3 C CH 3 Ki = 0.13 nM 350.43 CNc1cc(Nc2cc(C)cc(C)c2)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4474801 OBDepict H 3 C NH N N N H N HN O O N N F Ki = 0.14 nM 434.44 CNc1cc(Nc2cccn(-c3ccc(F)nc3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4561123 OBDepict H 3 C NH N N N H N HN O O N N F Ki = 0.15 nM 434.44 CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4789639 OBDepict CH 3 O N H N N N NH N H O F O D D D IC50 = 0.19 nM 439.47 [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4453441 OBDepict H 3 C NH N N N H N HN O O N N Ki = 0.2 nM 440.47 CNc1cc(Nc2cccn(-c3ccc(C#N)cc3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4078799 OBDepict N H H N O N N H O NH 2 N N CH 3 IC50 = 0.2 nM 391.44 Cn1cc(-c2ccc(Nc3nn([C@H]4COCC[C@@H]4C#N)cc3C(N)=O)cc2)cn1 Homo sapiens CHEMBL4033005 assay format
CHEMBL4579439 OBDepict H 3 C NH N N N H N HN O O N N F Ki = 0.22 nM 434.44 CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4793760 OBDepict CH 3 O N H N N F N NH N H O O D D D IC50 = 0.25 nM 439.47 [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncccn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4799019 OBDepict CH 3 O N H N N N N HN N H O O CH 3 O D D D IC50 = 0.25 nM 452.49 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(OC)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4438296 OBDepict CH 3 HN N N N H N N H O O N N Ki = 0.26 nM 430.47 CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC3CCC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4780233 OBDepict CH 3 O N H N N N NH N H O CH 3 O D D D IC50 = 0.27 nM 435.5 [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4585272 OBDepict CH 3 HN N N N H N NH O O N N Ki = 0.29 nM 416.45 CNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4543066 OBDepict HO H 3 C H 3 C N H O N N N HN NH CH 3 O N N Ki = 0.29 nM 462.51 CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NCC(C)(C)CO)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4084436 OBDepict H 2 N N N NH N N N H Cl Cl Ki = 0.3 nM 372.22 Nc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL3675689 OBDepict OH N HN N S N Cl Cl Ki = 0.3 nM 403.29 OCc1ccnc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)sc23)c1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL3675698 OBDepict N N N S NH N F + N _ C N NH 2 Ki = 0.3 nM 388.39 [C-]#[N+]c1cccc(F)c1-c1nc2c(C#N)cnc(Nc3cc(N)ncn3)c2s1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL4799559 OBDepict CH 3 O N H N N N N HN N H O OH H 3 C H 3 C O D D D IC50 = 0.3 nM 480.54 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(C(C)(C)O)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4530719 OBDepict F N N H N NH O NH 2 S O O CH 3 IC50 = 0.32 nM 401.42 CS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4547009 OBDepict H 3 C NH N N NH N N H O O N Ki = 0.33 nM 379.42 CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4466139 OBDepict CH 3 HN N N N H N NH O O N N Ki = 0.34 nM 416.45 CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4437714 OBDepict H 3 C NH N N N H N HN O O N N N F Ki = 0.38 nM 435.42 CNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL2386635 OBDepict N H H N N HO H 3 C H N N H Ki = 0.4 nM 323.4 C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 Homo sapiens CHEMBL2390365 single protein format
CHEMBL3675697 OBDepict N N N S HN N F Cl N NH 2 Ki = 0.4 nM 397.83 N#Cc1cnc(Nc2cc(N)ncn2)c2sc(-c3c(F)cccc3Cl)nc12 Homo sapiens CHEMBL3705206 single protein format
CHEMBL4062758 OBDepict H 3 C N N NH N N N H Cl Cl Ki = 0.4 nM 371.23 Cc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4089118 OBDepict N H H N O N N H O NH 2 OH H F F F IC50 = 0.4 nM 409.37 N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1 Homo sapiens CHEMBL4033005 assay format
CHEMBL4777175 OBDepict CH 3 O N H N N N N HN N H O HO H 3 C O D D D F F F IC50 = 0.44 nM 534.51 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C(C)(O)C(F)(F)F)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4561663 OBDepict F N HN N NH O NH 2 O NH 2 IC50 = 0.46 nM 366.36 NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4796821 OBDepict CH 3 O N H N N N HN N H O OH H 3 C H 3 C O D D D IC50 = 0.48 nM 479.56 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4799031 OBDepict CH 3 O N H N N N N HN N H O O D D D IC50 = 0.48 nM 422.46 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncccn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4454109 OBDepict H 3 C NH N N N H N HN O O N N N H 3 C H 3 C Ki = 0.48 nM 433.48 CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL4444169 OBDepict F N N H N HN N H O S D D D O O CH 3 IC50 = 0.49 nM 418.47 [2H]C([2H])([2H])NC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4096821 OBDepict N H H N O N N H O NH 2 N N N IC50 = 0.5 nM 378.4 N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(-n3ccnn3)cc2)n1 Homo sapiens CHEMBL4033005 assay format
CHEMBL4782449 OBDepict CH 3 O N H N N N N HN N H O O D D D IC50 = 0.5 nM 422.46 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnccn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4071399 OBDepict H 3 C N H N N NH N N N H Cl Cl Ki = 0.5 nM 386.25 CNc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL1789941 OBDepict N N H N N N N H Ki = 0.5 nM 306.37 N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1 Homo sapiens CHEMBL2160363 single protein format
CHEMBL3675700 OBDepict OH N N NH H 3 C N S N Cl + N _ C Ki = 0.5 nM 408.87 [C-]#[N+]c1cccc(Cl)c1-c1nc2ccnc(Nc3cc(CO)nc(C)n3)c2s1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL4075453 OBDepict Cl Cl N N H N NH N N N Ki = 0.5 nM 426.31 Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCCC4)ncn3)c2[nH]1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL3675685 OBDepict O N H N S N Cl Cl Ki = 0.5 nM 364.26 O=C(Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12)C1CC1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL4784838 OBDepict CH 3 O N H N N F N N HN N H O OH H 3 C H 3 C O D D D IC50 = 0.51 nM 498.53 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(C)(C)O)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4792780 OBDepict CH 3 O N H N N F N N HN N H O N O O D D D CH 3 CH 3 IC50 = 0.52 nM 511.53 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cc(F)cc(-c2ncc(C(=O)N(C)C)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4440718 OBDepict O N H N N HN D D D N H S N O O CH 3 IC50 = 0.53 nM 401.47 [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4780315 OBDepict CH 3 O N N O CH 3 N H N HN N H O O D D D IC50 = 0.54 nM 451.5 [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cnc(OC)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL3763213 OBDepict H N CH 3 H 3 C CH 3 O N N NH 2 N N H N H 3 C O IC50 = 0.55 nM 385.47 CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O Homo sapiens CHEMBL3766477 single protein format
CHEMBL4583185 OBDepict F N N H N N HN N H O S D D D O O CH 3 IC50 = 0.58 nM 419.46 [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4476770 OBDepict O N O N H O N O H 2 N F Cl IC50 = 0.6 nM 444.85 NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCOCC2)cc1 Homo sapiens CHEMBL4331751 cell-based format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.6 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL3820677 single protein format
CHEMBL4074130 OBDepict Cl Cl N N H N HN N N Ki = 0.6 nM 357.2 Clc1cccc(Cl)c1-c1nc2ccnc(Nc3ccncn3)c2[nH]1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4093872 OBDepict Cl Cl N N H N NH N N N O Ki = 0.6 nM 442.31 Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCOCC4)ncn3)c2[nH]1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4062680 OBDepict CH 3 N H N N HN N N N H Cl Cl N Ki = 0.6 nM 411.26 CNc1cc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4092116 OBDepict N Cl Cl N N H N HN N N NH 2 Ki = 0.6 nM 397.23 N#Cc1cc(Cl)c(-c2nc3ccnc(Nc4cc(N)ncn4)c3[nH]2)c(Cl)c1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4069942 OBDepict Cl Cl N N H N HN N N N CH 3 CH 3 Ki = 0.6 nM 400.27 CN(C)c1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4845662 OBDepict N N N N H 3 C N N H N H O IC50 = 0.67 nM 359.39 Cc1cnc(Nc2ccc3c(c2)CNC3=O)nc1-c1cnn(CCC#N)c1 Homo sapiens CHEMBL4825784 single protein format
CHEMBL4102140 OBDepict N H H N O N N H O NH 2 O F F IC50 = 0.7 nM 377.35 N#C[C@H]1CCOC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1 Homo sapiens CHEMBL4033005 assay format
CHEMBL4092191 OBDepict N N NH N N N H Cl Cl Ki = 0.7 nM 381.23 N#Cc1ccnc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)c1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4099854 OBDepict H 3 C O N N NH N N N H Cl Cl Ki = 0.7 nM 387.23 COc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4076947 OBDepict N Cl Cl N N H N HN N N CH 3 Ki = 0.7 nM 396.24 Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(C#N)cc4Cl)[nH]c23)ncn1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4797596 OBDepict CH 3 O N H N N N N HN N H O OH H 3 C H 3 C O D D D IC50 = 0.71 nM 480.54 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccc(C(C)(C)O)nn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4517542 OBDepict CH 3 HN N N N N H N H O O N H 3 C Ki = 0.74 nM 353.39 CNc1cc(Nc2cccn(C)c2=O)nn2c(C(=O)NC3CC3)cnc12 Homo sapiens CHEMBL4402444 single protein format
CHEMBL3644618 OBDepict CH 3 OH F N H N N N H N O F IC50 = 0.8 nM 499.52 CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(C(=O)c3ccc(F)cc3)C4)n[nH]c2c1 Homo sapiens CHEMBL4003450 single protein format
CHEMBL4093172 OBDepict O N H N S Cl Cl Ki = 0.8 nM 363.27 O=C(Nc1nccc2cc(-c3c(Cl)cccc3Cl)sc12)C1CC1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL3675699 OBDepict N + N + N _ C _ C S N N NH N H 3 C N CH 3 Ki = 0.8 nM 408.45 [C-]#[N+]c1cc(C#N)cc([N+]#[C-])c1-c1nc2ccnc(Nc3cc(C)nc(C)n3)c2s1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL3763991 OBDepict H 3 C CH 3 N CH 3 H O N N NH 2 N H N O IC50 = 0.92 nM 382.47 CC(C)[C@H](C)n1cc(-c2ccc(N3CCOCC3)cn2)c2[nH]nc(N)c2c1=O Homo sapiens CHEMBL3766477 single protein format
CHEMBL4526283 OBDepict H 3 C N H O N HN N H S N O O CH 3 F IC50 = 0.92 nM 415.45 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4544320 OBDepict H 3 C N H O N HN N H S N O O CH 3 IC50 = 0.95 nM 397.46 CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL3764277 OBDepict H N CH 3 H 3 C CH 3 O N N NH 2 N N H H 3 C O IC50 = 0.98 nM 384.48 CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O Homo sapiens CHEMBL3766477 single protein format
CHEMBL3944322 OBDepict N N O N H N Cl N N H N N H 3 C IC50 = 1.0 nM 428.93 Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(C(=O)CC#N)C4)n2)cn1 Homo sapiens CHEMBL3888836 single protein format
CHEMBL21156 OBDepict F N O N N H H CH 3 CH 3 CH 3 IC50 = 1.0 nM 309.34 CC(C)(C)c1nc2c3ccc(F)cc3c3c(=O)[nH]ccc3c2[nH]1 Homo sapiens CHEMBL819922 single protein format
CHEMBL495727 OBDepict O NH NH N N H N N H N O IC50 = 1.0 nM 381.44 O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1 Homo sapiens CHEMBL1009905 single protein format
CHEMBL2387225 OBDepict O HN N N H O Cl Cl NH 2 Ki = 1.0 nM 365.22 Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 Homo sapiens CHEMBL2390026 single protein format
CHEMBL3675690 OBDepict HO Cl Cl N S N HN N N CH 3 Ki = 1.0 nM 418.31 Cc1cc(Nc2nccc3nc(-c4c(Cl)cc(CO)cc4Cl)sc23)ncn1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL4070262 OBDepict HO N N N NH N N N H Cl Cl Ki = 1.0 nM 456.34 OC1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)[nH]c34)ncn2)CC1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4636795 OBDepict N O N N N H N N O H 3 C CH 3 IC50 = 1.1 nM 390.45 CN(C)C(=O)c1ccc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)nc1 Homo sapiens CHEMBL4627617 single protein format
CHEMBL4785957 OBDepict CH 3 O N H N N N N NH N H O CH 3 O D D D IC50 = 1.2 nM 436.49 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncc(C)cn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL3765517 OBDepict H 3 C CH 3 N CH 3 H O N N NH 2 N N H H 3 C N S O O IC50 = 1.2 nM 433.54 CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O Homo sapiens CHEMBL3766477 single protein format
CHEMBL3954894 OBDepict Cl H H N N N N N H IC50 = 1.2 nM 289.77 ClC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 Homo sapiens CHEMBL3887759 single protein format
CHEMBL4061128 OBDepict N NH N N O H 2 N H O H N IC50 = 1.2 nM 336.36 N#Cc1ccc(Nc2nn([C@H]3COCC[C@@H]3C#N)cc2C(N)=O)cc1 Homo sapiens CHEMBL4033005 assay format
CHEMBL4097446 OBDepict Cl Cl N N H N HN N N N N O Ki = 1.2 nM 497.39 Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(N4CCN(C5COC5)CC4)ncn3)c2[nH]1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4080904 OBDepict HO N N N N NH N N N H Cl Cl Ki = 1.2 nM 485.38 OCCN1CCN(c2cc(Nc3nccc4nc(-c5c(Cl)cccc5Cl)[nH]c34)ncn2)CC1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4444178 OBDepict O N H N N HN N H O S D D D O O CH 3 IC50 = 1.3 nM 392.46 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL4777648 OBDepict CH 3 O N H N N N N HN N H O O D D D IC50 = 1.3 nM 422.46 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ccncn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4537678 OBDepict CH 3 HN O N NH N H N O NH 2 F IC50 = 1.3 nM 380.38 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1C(N)=O Homo sapiens CHEMBL4414785 single protein format
CHEMBL2387219 OBDepict O NH H H N N N N N N H H O Cl Cl Ki = 1.3 nM 418.24 O=C(Nc1ccnc(NC(=O)[C@H]2C[C@H]2c2nn[nH]n2)c1)c1c(Cl)cccc1Cl Homo sapiens CHEMBL2390026 single protein format
CHEMBL4100889 OBDepict O N H N N N Cl Cl Ki = 1.3 nM 347.21 O=C(Nc1nccc2nn(-c3c(Cl)cccc3Cl)cc12)C1CC1 Homo sapiens CHEMBL4046589 single protein format
CHEMBL4788122 OBDepict CH 3 O N H N N N N HN N H O O D D D IC50 = 1.4 nM 422.46 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2cccnn2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL4776752 OBDepict CH 3 O N H N N N O N NH N H O CH 3 O D D D IC50 = 1.4 nM 452.49 [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2nccc(OC)n2)c1OC Homo sapiens CHEMBL4775527 single protein format
CHEMBL3675688 OBDepict O NH N H N S N F Cl Ki = 1.4 nM 362.82 O=C(Nc1nccc2nc(-c3c(F)cccc3Cl)sc12)NC1CC1 Homo sapiens CHEMBL3705206 single protein format
CHEMBL2387221 OBDepict N Cl Cl N H O N N H O H H F Ki = 1.4 nM 393.2 N#Cc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1 Homo sapiens CHEMBL2390026 single protein format