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Q9NYK1 | TLR7_HUMAN | Toll-like receptor 7 (TLR7)

3D structures mapped by conservation among orthologs



[ 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
CHEMBL4641633 OBDepict O N N N F F F H H F HN IC50 = 0.62 nM 420.41 O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2 Homo sapiens CHEMBL4622224 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 CHEMBL4828014 cell-based format
CHEMBL4634860 OBDepict CH 3 O N N N N H NH 2 IC50 < 1.0 nM 363.47 Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(N)(CC1)CC2 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4870936 OBDepict N N N D H CH 3 N H N O HN IC50 = 1.0 nM 441.56 [2H]c1ccc2c(N3C[C@@H]4c5ccc(OC6CCNCC6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836652 cell-based format
CHEMBL4762866 OBDepict CH 3 N N CH 3 N N CH 3 O H 2 N IC50 < 1.0 nM 391.52 Cc1cc(-c2cnc(OCC34CCC(N)(CC3)CC4)c(C)c2)c2cnn(C)c2n1 Homo sapiens CHEMBL4727486 tissue-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 CHEMBL4727486 tissue-based format
CHEMBL4850118 OBDepict N N N D H CH 3 N H N N H 3 C H 2 N IC50 = 1.3 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 CHEMBL4836652 cell-based format
CHEMBL4846672 OBDepict H 3 C O N N N CH 3 N H N H IC50 = 1.4 nM 411.51 COc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cn2ncnc12 Homo sapiens CHEMBL4828014 cell-based format
CHEMBL4854009 OBDepict CH 3 N CH 3 CH 3 N H N OH H 3 C H 3 C IC50 = 1.5 nM 441.62 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCN(CC(C)(C)O)CC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828014 cell-based format
CHEMBL4878670 OBDepict N N N D H H 3 C N H N N H H N H IC50 = 1.7 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 CHEMBL4836652 cell-based format
CHEMBL4872385 OBDepict CH 3 O N N N H 3 C N H NH IC50 = 1.9 nM 411.51 COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3cc2C)cn2ncnc12 Homo sapiens CHEMBL4828014 cell-based format
CHEMBL4865326 OBDepict CH 3 N CH 3 CH 3 N H N H IC50 = 2.4 nM 369.51 Cc1cc(-c2cc(C)c3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828014 cell-based format
CHEMBL4849957 OBDepict N N N D H H 3 C N H N N H H N H IC50 = 2.7 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 CHEMBL4836652 cell-based format
CHEMBL4755291 OBDepict N N N D H N H CH 3 N N CH 3 N H 2 N IC50 = 3.0 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 CHEMBL4679473 cell-based format
CHEMBL4740968 OBDepict CH 3 O N N N N H OH IC50 = 3.0 nM 364.45 Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(O)(CC1)CC2 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4799678 OBDepict N N N H N H H 3 C N N N H IC50 = 4.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cncc4c3CCNC4)CCN12 Homo sapiens CHEMBL4679473 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 = 5.7 nM 435.61 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C(C)C)c3c2)CC1 Homo sapiens CHEMBL4622740 cell-based format
CHEMBL4745246 OBDepict N N N H N H H 3 C N N N H IC50 = 6.0 nM 439.57 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@H]2CN(c3cncc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679473 cell-based format
CHEMBL4748638 OBDepict H 2 N N N N H 3 C N F O H 2 N IC50 = 6.0 nM 396.47 Cn1nc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4747784 OBDepict N N N H N H CH 3 N N N H F H H 2 N IC50 = 6.0 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 CHEMBL4679473 cell-based format
CHEMBL4850085 OBDepict N N N D H CH 3 N H N N N H IC50 = 6.5 nM 452.58 [2H]c1ccc2c(N3C[C@@H]4c5ccc(N6CCC7(CNC7)C6)nc5CN4[C@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4836652 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 = 7.0 nM 513.67 [2H]c1ccc2c(N3CC4CN(c5ncc(N6CCOC[C@H](N)C6)cc5C)CCN4[C@@H](C)C3)ccc(C#N)c2n1 Homo sapiens CHEMBL4679473 cell-based format
CHEMBL4760220 OBDepict N N N H H 3 C N H N N H IC50 = 7.0 nM 438.58 C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cccc4c3CCNC4)CCN21 Homo sapiens CHEMBL4679473 cell-based format
CHEMBL4863896 OBDepict N N N N H N N CH 3 NH 2 IC50 = 8.7 nM 439.57 CC1(N)CCN(c2ccc3c(n2)CN2CCN(c4ccc(C#N)c5ncccc45)C[C@@H]32)CC1 Homo sapiens CHEMBL4836652 cell-based format
CHEMBL4642538 OBDepict H 3 C O N CH 3 CH 3 N N HN IC50 = 14.0 nM 336.44 Cc1cc(=O)n(C)cc1-c1cc(C)c2nn(C3CCNCC3)cc2c1 Homo sapiens CHEMBL4622224 cell-based format
CHEMBL4856345 OBDepict CH 3 N CH 3 N H N H IC50 = 22.0 nM 355.49 Cc1cc(-c2ccc3c(c2)[nH]c2ccc(C4CCNCC4)cc23)cc(C)n1 Homo sapiens CHEMBL4828014 cell-based format
CHEMBL4783510 OBDepict NH 2 N N N CH 3 N F O H H H 2 N IC50 = 25.0 nM 370.43 Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4641604 OBDepict CH 3 N N H 3 C N CH 3 O HN IC50 = 28.0 nM 336.44 Cc1cc(-c2ccc(=O)n(C)c2C)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622224 cell-based format
CHEMBL4643502 OBDepict CH 3 N N N CH 3 H 3 C O NH IC50 = 34.0 nM 336.44 Cc1cc(-c2cc(C)c3nn(C4CCNCC4)cc3c2)cn(C)c1=O Homo sapiens CHEMBL4622224 cell-based format
CHEMBL4740820 OBDepict NH 2 N N N CH 3 N F O H 2 N IC50 = 45.0 nM 396.47 Cn1ncc2c(-c3ccc(OCC45CCC(N)(CC4)CC5)c(F)c3)nc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4792072 OBDepict H 2 N N N N H 3 C F O H 2 N IC50 = 46.0 nM 395.48 Cc1cc(-c2ccc(OCC34CCC(N)(CC3)CC4)c(F)c2)c2cnc(N)nn12 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4755173 OBDepict NH 2 N N N CH 3 N F O HN IC50 = 53.0 nM 384.46 Cn1nc(-c2ccc(OCCCC3CCNCC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4637139 OBDepict CH 3 NH N N H F F F O O H 3 C H 3 C IC50 = 70.0 nM 475.56 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(CC(F)(F)F)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4782200 OBDepict NH 2 N N N CH 3 N F O H H H 2 N IC50 = 71.0 nM 370.43 Cn1nc(-c2ccc(OC[C@H]3CC[C@@H](N)CC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4796453 OBDepict H 2 N N N N H 3 C N F O H N H H IC50 = 95.0 nM 382.44 Cn1nc(-c2ccc(OCC3C[C@@H]4CC[C@H](C3)N4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4637254 OBDepict H 3 C N H N N H CH 3 O O CH 3 CH 3 IC50 = 130.0 nM 421.59 CCc1c(-c2ccc(OC)c(OC)c2)[nH]c2ccc(C3CCN(CCNC)CC3)cc12 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4639145 OBDepict CH 3 N N N CH 3 O NH IC50 = 140.0 nM 322.41 Cc1cc(-c2ccc(=O)n(C)c2)cc2cn(C3CCNCC3)nc12 Homo sapiens CHEMBL4622224 cell-based format
CHEMBL4776103 OBDepict NH 2 N N N CH 3 N F O HN IC50 = 170.0 nM 356.41 Cn1nc(-c2ccc(OCC3CCNCC3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4745239 OBDepict H 2 N N N N H 3 C N F O HO IC50 = 200.0 nM 397.45 Cn1nc(-c2ccc(OCC34CCC(O)(CC3)CC4)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4647818 OBDepict CH 3 NH N N H 3 C H O O H 3 C H 3 C IC50 = 250.0 nM 407.56 CNCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4213787 OBDepict Cl Cl S N N H O N H O N IC50 = 260.0 nM 393.25 O=C(NNC(=O)c1csc(-c2ccc(Cl)cc2Cl)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL4743698 OBDepict H 3 C N N O F N N CH 3 N N NH 2 IC50 = 310.0 nM 399.47 CN1CCN(CCCOc2ccc(-c3nn(C)c4nc(N)ncc34)cc2F)CC1 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4632877 OBDepict H 3 C O O H 3 C N H 3 C H NH IC50 = 380.0 nM 350.46 COc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4853223 OBDepict H 3 C N H 3 C H N O O N O N H N CH 3 H 3 C IC50 = 430.0 nM 535.73 CN(C)[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(OCCCN5CC[C@@H](N(C)C)C5)cc4o3)cc2)C1 Homo sapiens CHEMBL4814524 single protein format
CHEMBL4206455 OBDepict Cl Cl S N N H O N H O N IC50 = 440.0 nM 393.25 O=C(NNC(=O)c1csc(-c2cc(Cl)cc(Cl)c2)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL4761527 OBDepict NH 2 N N N H 3 C N F O N H IC50 = 500.0 nM 368.42 Cn1nc(-c2ccc(OCC3CC4(CNC4)C3)c(F)c2)c2cnc(N)nc21 Homo sapiens CHEMBL4727486 tissue-based format
CHEMBL4855190 OBDepict H 3 C N N H 3 C CH 3 O O N O N CH 3 N CH 3 H 3 C IC50 = 500.0 nM 511.71 CN(C)CCN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)CCN(C)C)cc3o2)cc1 Homo sapiens CHEMBL4814524 single protein format
CHEMBL4218718 OBDepict O N H N N H S O N Cl Cl IC50 = 500.0 nM 393.25 O=C(NNC(=O)c1csc(-c2cccc(Cl)c2Cl)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL1614812 OBDepict CH 3 NH N N F H O H 3 C IC50 = 610.0 nM 381.5 CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(F)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4643717 OBDepict CH 3 NH N N H 3 C H O O IC50 = 650.0 nM 391.52 CNCCN1CCC(c2ccc3[nH]c(-c4ccc5c(c4)OCO5)c(C)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4634971 OBDepict CH 3 NH N N F H Cl IC50 = 690.0 nM 385.91 CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4Cl)c(F)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4281194 OBDepict CH 3 O O N N N N N CH 3 H 3 C N IC50 = 700.0 nM 496.7 COc1cc2c(N3CCN(CC4CCCC4)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 Homo sapiens CHEMBL4269089 cell-based format
CHEMBL4639038 OBDepict CH 3 O O CH 3 N H CH 3 N N H 3 C IC50 = 730.0 nM 447.62 COc1ccc(-c2[nH]c3ccc(C4CCN(C5CCN(C)CC5)CC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4641162 OBDepict CH 3 HN N N H 3 C H O O H 3 C H 3 C IC50 = 790.0 nM 421.59 CNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1 Homo sapiens CHEMBL4622741 cell-based format
CHEMBL1535 OBDepict HO N CH 3 NH H 3 C N Cl IC50 = 800.0 nM 335.88 CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Homo sapiens CHEMBL4269089 cell-based format
CHEMBL4868741 OBDepict H 3 C N N O H 3 C H 3 C N O O N CH 3 CH 3 IC50 = 800.0 nM 468.64 CN(C)CCCOc1ccc2nc(-c3ccc(OCCCN(C)CCCN(C)C)cc3)oc2c1 Homo sapiens CHEMBL4814524 single protein format
CHEMBL4644864 OBDepict CH 3 O O CH 3 N H CH 3 N N CH 3 IC50 = 850.0 nM 461.65 COc1ccc(-c2[nH]c3ccc(C4CCN(CC5CCCCN5C)CC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4207325 OBDepict Br S N N H O N H O N IC50 = 900.0 nM 403.26 O=C(NNC(=O)c1csc(-c2cccc(Br)c2)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL4647316 OBDepict CH 3 O O CH 3 N H CH 3 N N N CH 3 IC50 = 920.0 nM 444.58 COc1ccc(-c2[nH]c3ccc(C4CCN(Cc5cncn5C)CC4)cc3c2C)cc1OC Homo sapiens CHEMBL4622741 cell-based format
CHEMBL4868248 OBDepict CH 3 N N O CH 3 CH 3 N O O N H 3 C N CH 3 H 3 C IC50 = 980.0 nM 539.77 CN(C)CCCN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)CCCN(C)C)cc3o2)cc1 Homo sapiens CHEMBL4814524 single protein format
CHEMBL4853422 OBDepict CH 3 O H N O O N O N H O H 3 C IC50 = 990.0 nM 537.7 COC[C@H]1CCCN1CCCOc1ccc(-c2nc3ccc(OCCCN4CCC[C@@H]4COC)cc3o2)cc1 Homo sapiens CHEMBL4814524 single protein format
CHEMBL4205530 OBDepict O N H N N H S O N F F F IC50 = 990.0 nM 392.36 O=C(NNC(=O)c1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL4281928 OBDepict N N H N H CH 3 O N CH 3 IC50 < 1000.0 nM 402.54 C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CC2C3CC2CN(C)C3)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4291272 OBDepict CH 3 N N O H H 3 C H N H 3 C IC50 < 1000.0 nM 379.55 Cc1ccc([C@H]2C[C@@H](C)CN(C(=O)CC3CCN(C)CC3)C2)c2cccnc12 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4283433 OBDepict N N H N H CH 3 O H H H HN IC50 < 1000.0 nM 374.49 C[C@@H]1C[C@@H](c2ccc(C#N)c3ncccc23)CN(C(=O)C[C@H]2[C@@H]3CNC[C@@H]32)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4553003 OBDepict O N H F Br O F F F F F F IC50 = 1000.0 nM 522.21 O=C(Nc1ccc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1)c1c(F)cccc1Br Homo sapiens CHEMBL4356423 cell-based format
CHEMBL4279529 OBDepict N N H N H CH 3 O N N H 3 C IC50 < 1000.0 nM 391.52 C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CN2CCN(C)CC2)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4294683 OBDepict N N H N H CH 3 O N H 3 C IC50 < 1000.0 nM 390.53 C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)CC2CCN(C)CC2)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4289796 OBDepict N N H N H CH 3 NH O N H 3 C IC50 < 1000.0 nM 391.52 C[C@@H]1C[C@H](c2ccc(C#N)c3ncccc23)CN(C(=O)NC2CCN(C)CC2)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4291980 OBDepict H CH 3 H NH 2 H N N F F F IC50 < 1000.0 nM 309.33 C[C@@H]1C[C@H](N)C[C@H](c2ccc(C(F)(F)F)c3nccnc23)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4284109 OBDepict H CH 3 H NH 2 H N N F F F IC50 < 1000.0 nM 309.33 C[C@@H]1C[C@H](N)C[C@@H](c2ccc(C(F)(F)F)c3nccnc23)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4276833 OBDepict O HN HO H CH 3 H 3 C CH 3 H H CH 3 H N N F F F IC50 < 1000.0 nM 423.48 C[C@H]1C[C@@H](NC(=O)[C@@H](O)C(C)(C)C)C[C@H](c2ccc(C(F)(F)F)c3nccnc23)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4279958 OBDepict O N N H H CH 3 H N F F F IC50 = 1000.0 nM 377.41 C[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)NC2CC2)C1 Homo sapiens CHEMBL4256226 cell-based format
CHEMBL4202439 OBDepict Cl S N N H O N H O N IC50 = 1000.0 nM 358.81 O=C(NNC(=O)c1csc(-c2cccc(Cl)c2)n1)c1ccccn1 Homo sapiens CHEMBL4195474 cell-based format
CHEMBL4287869 OBDepict N N N CH 3 N H 3 C IC50 < 1000.0 nM 348.49 CC1CC(c2ccc(C#N)c3ncccc23)CN(CC2CCN(C)C2)C1 Homo sapiens CHEMBL4256226 cell-based format