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Q9NR97 | TLR8_HUMAN | Toll-like receptor 8 (TLR8)

3D structures mapped by conservation among orthologs

[ Domain: "Leucine-rich repeats" // LRR_8_3 ]

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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
CHEMBL4870936 OBDepict N N N D H CH 3 N H N O HN IC50 < 0.3 nM 441.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(OC6CCNCC6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4850118 OBDepict N N N D H CH 3 N H N N H 3 C H 2 N IC50 < 0.3 nM 440.57 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6CC[C@](C)(N)C6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4849957 OBDepict N N N D H H 3 C N H N N H H N H IC50 < 0.3 nM 438.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6C[C@H]7C[C@@H]6CN7)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4878670 OBDepict N N N D H H 3 C N H N N H H N H IC50 = 0.4 nM 438.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6C[C@@H]7C[C@H]6CN7)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4790706 OBDepict CH 3 O N H 3 C HO IC50 = 0.5 nM 265.31 COc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1 Homo sapiens CHEMBL4687762 tissue-based format
CHEMBL4850085 OBDepict N N N D H CH 3 N H N N N H IC50 = 0.7 nM 452.58 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6CCC7(CNC7)C6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4849186 OBDepict CH 3 O N N N H 3 C N CH 3 H NH IC50 = 0.8 nM 425.54 COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3c(C)c2C)cn2ncnc12 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4790219 OBDepict NH 2 N N N H 3 C N N CH 3 O H 2 N IC50 = 1.0 nM 393.5 Cc1cc(-c2nn(C)c3nc(N)ncc23)cnc1OCC12CCC(N)(CC1)CC2 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4740968 OBDepict CH 3 O N N N N H OH IC50 < 1.0 nM 364.45 Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(O)(CC1)CC2 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4799678 OBDepict N N N H N H H 3 C N N N H IC50 = 1.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cncc4c3CCNC4)CCN12 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4872385 OBDepict CH 3 O N N N H 3 C N H NH IC50 = 1.4 nM 411.51 COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3cc2C)cn2ncnc12 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4641633 OBDepict O N N N F F F H H F HN IC50 = 1.5 nM 420.41 O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4863896 OBDepict N N N N H N N CH 3 NH 2 IC50 = 1.9 nM 439.57 CC1(N)CCN(c2ccc3c(n2)CN2CCN(c4ccc(C#N)c5ncccc45)C[C@@H]32)CC1 Homo sapiens CHEMBL4836653 cell-based format
CHEMBL4745246 OBDepict N N N H N H H 3 C N N N H IC50 = 2.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]2CN(c3cncc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4762866 OBDepict CH 3 N N CH 3 N N CH 3 O H 2 N IC50 = 2.0 nM 391.52 Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4760220 OBDepict N N N H H 3 C N H N N H IC50 < 3.0 nM 438.58 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cccc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4748638 OBDepict H 2 N N N N H 3 C N F O H 2 N IC50 = 3.0 nM 396.47 Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4755291 OBDepict N N N D H N H CH 3 N N CH 3 N H 2 N IC50 = 4.0 nM 509.68 [2H]c1ccc2c(N3C[C@@H](C)N4CCN(c5ncc(N6CC7(CC(N)C7)C6)cc5C)C[C@H]4C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4747784 OBDepict N N N H N H CH 3 N N N H F H H 2 N IC50 = 4.0 nM 514.65 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(CCc3ccc(N4C[C@H](F)[C@H](N)C4)nc3)CCN21 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4783510 OBDepict NH 2 N N N CH 3 N F O H H H 2 N IC50 = 5.0 nM 370.43 Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4636498 OBDepict CH 3 NH N N H CH 3 H 3 C O O H 3 C H 3 C IC50 = 5.1 nM 435.61 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)CC1 Homo sapiens CHEMBL4622754 cell-based format
CHEMBL4795549 OBDepict N N N D N H H 3 C N N CH 3 N O H H 2 N IC50 = 6.0 nM 513.67 [2H]c1ccc2c(N3CC4CN(c5ncc(N6CCOC[C@H](N)C6)cc5C)CCN4[C@@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4679472 cell-based format
CHEMBL4846672 OBDepict H 3 C O N N N CH 3 N H N H IC50 = 6.8 nM 411.51 COc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cn2ncnc12 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4761527 OBDepict NH 2 N N N H 3 C N F O N H IC50 = 10.0 nM 368.42 Cn1nc(-c2ccc(OCC3CC4(CNC4)C3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4647201 OBDepict CH 3 N O CH 3 N N HN IC50 = 11.0 nM 362.48 Cc1c(-c2cc(C3CC3)c3nn(C4CCNCC4)cc3c2)ccc(=O)n1C Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4854009 OBDepict CH 3 N CH 3 CH 3 N H N OH H 3 C H 3 C IC50 = 12.0 nM 441.62 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCN(CC(C)(C)O)CC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4740820 OBDepict NH 2 N N N CH 3 N F O H 2 N IC50 = 18.0 nM 396.47 Cn1ncc2c(-c3ccc(OCC45CCC(N)(CC4)CC5)c(F)c3)nc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4632520 OBDepict H 3 C N O CH 3 N N F F F NH IC50 = 18.0 nM 390.41 Cc1c(-c2cc(C(F)(F)F)c3nn(C4CCNCC4)cc3c2)ccc(=O)n1C Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4782200 OBDepict NH 2 N N N CH 3 N F O H H H 2 N IC50 = 20.0 nM 370.43 Cn1nc(-c2ccc(OC[C@H]3CC[C@@H](N)CC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4865326 OBDepict CH 3 N CH 3 CH 3 N H N H IC50 = 21.0 nM 369.51 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4755173 OBDepict NH 2 N N N CH 3 N F O HN IC50 = 26.0 nM 384.46 Cn1nc(-c2ccc(OCCCC3CCNCC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4635547 OBDepict Cl N N CH 3 N CH 3 O NH IC50 = 30.0 nM 356.86 Cc1c(-c2cc(Cl)c3nn(C4CCNCC4)cc3c2)ccc(=O)n1C Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4519240 OBDepict OH N N N S CH 3 CH 3 H 3 C H 3 C IC50 = 30.0 nM 291.42 CSc1nnc(CCCO)n1-c1cc(C)c(C)c(C)c1 Homo sapiens CHEMBL4359294 cell-based format
CHEMBL4635717 OBDepict CH 3 N N Cl N CH 3 O HN IC50 = 30.0 nM 356.86 Cc1cc(-c2ccc(=O)n(C)c2Cl)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4643502 OBDepict CH 3 N N N CH 3 H 3 C O NH IC50 = 33.0 nM 336.44 Cc1cc(-c2cc(C)c3nn(C4CCNCC4)cc3c2)cn(C)c1=O Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4640935 OBDepict CH 3 N CH 3 N O N N CH 3 CH 3 N H 3 C O IC50 = 35.0 nM 421.55 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCN(C(=O)CN(C)C)CC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4641604 OBDepict CH 3 N N H 3 C N CH 3 O HN IC50 = 39.0 nM 336.44 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4792072 OBDepict H 2 N N N N H 3 C F O H 2 N IC50 = 40.0 nM 395.48 Cc1cc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nn12 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4633423 OBDepict CH 3 N N N CH 3 CH 3 N H 3 C O IC50 = 47.0 nM 350.47 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCN(C)CC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4776103 OBDepict NH 2 N N N CH 3 N F O HN IC50 = 60.0 nM 356.41 Cn1nc(-c2ccc(OCC3CCNCC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4634860 OBDepict CH 3 O N N N N H NH 2 IC50 = 68.0 nM 363.47 Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(N)(CC1)CC2 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4642652 OBDepict O N N N F F F H H F HN IC50 = 69.0 nM 420.41 O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@@H]4CCNC[C@H]4F)cc3c2)c2n1CCC2 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4745239 OBDepict H 2 N N N N H 3 C N F O HO IC50 = 75.0 nM 397.45 Cn1nc(-c2ccc(OCC34CCC(O)(CC3)CC4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4642538 OBDepict H 3 C O N CH 3 CH 3 N N HN IC50 = 76.0 nM 336.44 Cc1cc(=O)n(C)cc1-c1cc(C)c2nn(C3CCNCC3)cc2c1 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4796453 OBDepict H 2 N N N N H 3 C N F O H N H H IC50 = 88.0 nM 382.44 Cn1nc(-c2ccc(OCC3C[C@@H]4CC[C@H](C3)N4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727488 cell-based format
CHEMBL4646719 OBDepict H 3 C N O N N N N IC50 = 91.0 nM 375.48 Cn1cc(-c2ccc3nc(N4CCN(C5CCC5)CC4)ncc3c2)ccc1=O Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4648996 OBDepict CH 3 N N H 3 C N CH 3 N H O IC50 = 93.0 nM 336.44 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCCNC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4856345 OBDepict CH 3 N CH 3 N H N H IC50 = 103.0 nM 355.49 Cc1cc(-c2ccc3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828015 cell-based format
CHEMBL4530243 OBDepict OH N N N S CH 3 Cl Cl Cl IC50 = 110.0 nM 352.67 CSc1nnc(CCCO)n1-c1cc(Cl)c(Cl)c(Cl)c1 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4647012 OBDepict CH 3 N N H 3 C N CH 3 N O IC50 = 140.0 nM 330.39 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(-c3cccnc3)nc12 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4452260 OBDepict OH N N N S CH 3 Cl Cl IC50 = 190.0 nM 318.23 CSc1nnc(CCCO)n1-c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4461378 OBDepict OH N N N S CH 3 F F F IC50 = 210.0 nM 317.34 CSc1nnc(CCCO)n1-c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4637821 OBDepict CH 3 N CH 3 N N N CH 3 N H 3 C O IC50 = 220.0 nM 377.49 Cc1cc(-c2ccc(=O)n(C)c2)cc2cnc(N3CCN(C(C)C)CC3)nc12 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4632846 OBDepict O N N N F F F H H F HN IC50 = 270.0 nM 420.41 O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4647559 OBDepict CH 3 N O F N N F F F HN IC50 = 280.0 nM 394.37 Cn1c(F)c(-c2cc(C(F)(F)F)c3nn(C4CCNCC4)cc3c2)ccc1=O Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4539893 OBDepict OH N N N S CH 3 CH 3 IC50 = 290.0 nM 263.37 CSc1nnc(CCCO)n1-c1cccc(C)c1 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4451165 OBDepict HO N N N S CH 3 Cl Cl IC50 = 290.0 nM 318.23 CSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4543348 OBDepict _ O + N O O I N O N IC50 = 300.0 nM 409.14 O=[N+]([O-])c1c(I)cccc1Oc1ccc(-c2nnco2)cc1 Homo sapiens CHEMBL4356424 cell-based format
CHEMBL4635744 OBDepict CH 3 N N CH 3 N CH 3 N H F F O IC50 = 300.0 nM 372.42 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CNCCC3(F)F)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4644098 OBDepict O N N N F F F HN IC50 = 320.0 nM 402.42 O=c1ccc(-c2cc(C(F)(F)F)c3nn(C4CCNCC4)cc3c2)c2n1CCC2 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4639145 OBDepict CH 3 N N N CH 3 O NH IC50 = 320.0 nM 322.41 Cc1cc(-c2ccc(=O)n(C)c2)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622225 cell-based format
CHEMBL4471285 OBDepict OH N N N S CH 3 Cl IC50 = 350.0 nM 283.78 CSc1nnc(CCCO)n1-c1cccc(Cl)c1 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4590994 OBDepict HO N N N S CH 3 IC50 = 390.0 nM 299.4 CSc1nnc(CCCO)n1-c1cccc2ccccc12 Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4535822 OBDepict HO N N N S Cl CH 3 Cl IC50 = 390.0 nM 332.26 CCSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4634366 OBDepict CH 3 N N N O H 3 C O NH IC50 = 400.0 nM 362.43 Cc1cc(-c2cn(C)c(=O)c3ccoc23)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4585768 OBDepict HO N N N S CH 3 Cl Cl IC50 = 520.0 nM 346.28 CSc1nnc(CCCCCO)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4564658 OBDepict OH N N N S CH 3 Cl Cl IC50 = 550.0 nM 290.18 CSc1nnc(CO)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4445770 OBDepict HO N N N S H 3 C Cl Cl IC50 = 590.0 nM 304.2 CSc1nnc(CCO)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4468868 OBDepict HO N N N S CH 3 Cl Cl Cl IC50 = 600.0 nM 352.67 CSc1nnc(CCCO)n1-c1ccc(Cl)c(Cl)c1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4649727 OBDepict CH 3 N N N O HN IC50 = 600.0 nM 348.45 Cc1cc(-c2ccc(=O)n3c2CCC3)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4449343 OBDepict H 3 C N N N S H 3 C Cl Cl IC50 = 630.0 nM 302.23 CCCc1nnc(SC)n1-c1ccc(Cl)cc1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4467356 OBDepict _ O + N O O Cl N O N IC50 = 770.0 nM 317.69 O=[N+]([O-])c1c(Cl)cccc1Oc1ccc(-c2nnco2)cc1 Homo sapiens CHEMBL4356424 cell-based format
CHEMBL4633872 OBDepict CH 3 N N F N CH 3 O HN IC50 = 800.0 nM 340.4 Cc1cc(-c2ccc(=O)n(C)c2F)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622222 cell-based format
CHEMBL4446241 OBDepict HO N N N S CH 3 Cl Cl IC50 = 800.0 nM 318.23 CSc1nnc(CCCO)n1-c1cccc(Cl)c1Cl Homo sapiens CHEMBL4359293 cell-based format
CHEMBL4593624 OBDepict N O Br N O N IC50 = 880.0 nM 342.15 N#Cc1c(Br)cccc1Oc1ccc(-c2nnco2)cc1 Homo sapiens CHEMBL4356424 cell-based format
CHEMBL4451720 OBDepict HO N N N S CH 3 Cl IC50 = 980.0 nM 283.78 CSc1nnc(CCCO)n1-c1ccccc1Cl Homo sapiens CHEMBL4359293 cell-based format