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P51617 | IRAK1_HUMAN | Interleukin-1 receptor-associated kinase 1 (IRAK1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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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
CHEMBL4782804 OBDepict CH 2 HN O HN O N H O N N H N IC50 = 9.0 nM 452.47 C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 9.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479731 assay format
CHEMBL256713 OBDepict CH 3 O N H N O N O N H N IC50 = 9.0 nM 379.42 COc1cc(N2CCOCC2)ccc1NC(=O)c1cccc(-c2ccn[nH]2)n1 Homo sapiens CHEMBL4731591 assay format
CHEMBL4569508 OBDepict O N H S F F F N N N O N IC50 < 10.0 nM 529.59 O=C(NCC(F)(F)F)c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)cs1 Homo sapiens CHEMBL4479731 assay format
CHEMBL3736465 OBDepict OH N HN N O N F F F Ki = 12.0 nM 522.57 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccc(CCO)cc1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL3735401 OBDepict CH 3 O N N CH 3 H 3 C N H N O H 3 C H 3 C N IC50 = 14.0 nM 465.56 CCc1cc2c(cc1-c1cnn(CC(=O)N(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3748819 single protein format
CHEMBL3393607 OBDepict CH 3 N CH 3 NH O N H O N H N N N IC50 = 14.2 nM 493.57 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(-c4cccnc4)n3)cc2)c1 Homo sapiens CHEMBL4731591 assay format
CHEMBL3746678 OBDepict CH 3 O N N CH 3 H 3 C N H N H 3 C CH 3 N IC50 = 15.0 nM 465.6 CCc1cc2c(cc1-c1cnn(CCCN(C)C)c1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O Homo sapiens CHEMBL3748819 single protein format
CHEMBL3735673 OBDepict O N H N N + N O _ O H N H OH Ki = 18.0 nM 477.57 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL4550702 OBDepict CH 3 N N N N N S NH O F F F IC50 = 19.0 nM 406.39 Cn1cc(-c2cnc3c(-c4csc(C(=O)NCC(F)(F)F)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479731 assay format
CHEMBL4278882 OBDepict H 3 C N O N H H N H N N N CH 3 H 3 C IC50 = 21.0 nM 384.53 CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1 Homo sapiens CHEMBL4266498 cell-based format
CHEMBL4064608 OBDepict H N N N N H O H H N O IC50 = 23.0 nM 385.51 c1nc(N[C@H]2CC[C@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4027011 cell-based format
CHEMBL4784448 OBDepict CH 2 NH O N H O N H O N N H N IC50 = 25.0 nM 452.47 C=CC(=O)Nc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)c1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL4582624 OBDepict N N N N N H N H H N N H N H 3 C N O O CH 3 IC50 = 27.0 nM 504.6 COC(=O)N1CCN([C@H]2CC[C@H](Nc3nc(Nc4cnn(C)c4)nc4ccc(CC#N)nc34)CC2)CC1 Homo sapiens CHEMBL4323539 single protein format
CHEMBL4455718 OBDepict H 3 C O N O N H H N H N N N IC50 = 44.0 nM 394.48 COC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnc4ccc(C#N)cc34)CC2)CC1 Homo sapiens CHEMBL4323539 single protein format
CHEMBL4799481 OBDepict H 2 C N H O NH O NH O N N H N IC50 = 47.0 nM 452.47 C=CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)cc1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL3734854 OBDepict OH H H N NH N O N + N O _ O Ki = 48.0 nM 491.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL4790193 OBDepict H 3 C N CH 3 NH O NH O N H O N N H N IC50 = 52.0 nM 509.57 CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL3353219 OBDepict NH 2 N N H Cl O N N N HO IC50 = 55.0 nM 400.87 NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1 Homo sapiens CHEMBL3372373 single protein format
CHEMBL4786242 OBDepict H 2 C NH O N H O N H O N N H N IC50 = 55.0 nM 452.47 C=CC(=O)Nc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)c2)cc1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 59.3 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328454 single protein format
CHEMBL3967068 OBDepict O HN S N O N N H H HO IC50 = 70.0 nM 420.49 O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL4290222 OBDepict H 3 C N O N H H N H N N N O IC50 = 72.0 nM 426.57 CC(=O)N1CCN([C@H]2CC[C@H](Nc3ncnn4ccc(C5CCOCC5)c34)CC2)CC1 Homo sapiens CHEMBL4266498 cell-based format
CHEMBL3736036 OBDepict HO H H N HN N O N F F F Ki = 72.0 nM 514.59 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1[C@H]1CC[C@@H](CO)CC1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL3353213 OBDepict OH N N H HN O N N O N IC50 < 100.0 nM 452.47 O=C(Nc1nc2ccc(CO)cc2[nH]1)c1cccc(Cn2nc(-c3cccnc3)ccc2=O)c1 Homo sapiens CHEMBL3372368 single protein format
CHEMBL3353215 OBDepict O N H N N N N HO O IC50 < 100.0 nM 449.47 O=C1Nc2nc3ccccc3n2Cc2cc(ccc2O)-c2ccc(=O)n(n2)Cc2cccc1c2 Homo sapiens CHEMBL3372368 single protein format
CHEMBL3353214 OBDepict O N CH 3 CH 3 N N H N H O N N O N IC50 < 100.0 nM 507.55 CN(C)C(=O)Cc1ccc2nc(NC(=O)c3cccc(Cn4nc(-c5cccnc5)ccc4=O)c3)[nH]c2c1 Homo sapiens CHEMBL3372368 single protein format
CHEMBL3353216 OBDepict O NH N N N N N N O IC50 < 100.0 nM 437.46 O=C1Nc2nc3ccccc3n2CCn2cc(cn2)-c2ccc(=O)n(n2)Cc2cccc1c2 Homo sapiens CHEMBL3372368 single protein format
CHEMBL4874241 OBDepict NH 2 N F + N O NH O _ O IC50 = 110.0 nM 378.36 Nc1ncc(-c2cc([N+](=O)[O-])ccc2F)cc1-c1ccc2c(c1)CCNC2=O Homo sapiens CHEMBL4804334 assay format
CHEMBL3902455 OBDepict HO O N H N O S N N IC50 = 123.0 nM 420.49 O=C(Nc1cc2cccnc2cc1OC1CCC(O)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3941034 OBDepict Cl N H O O H S N H HO N IC50 = 126.0 nM 403.89 O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@@H](O)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3939426 OBDepict HO O N H Cl O N N N OH IC50 = 163.0 nM 402.84 O=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1cnn2cc(O)cnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3972673 OBDepict O HN S N O N N H H HO IC50 = 168.0 nM 420.49 O=C(Nc1cc2cccnc2cc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL4793380 OBDepict O NH N H N O H 3 C H 3 C CH 3 N H N O N HN IC50 = 179.0 nM 423.48 CC(C)(C)c1cc(NC(=O)Nc2ccc(Nc3ncnc4c3OCCCN4)cc2)no1 Homo sapiens CHEMBL4767008 single protein format
CHEMBL3904732 OBDepict OH NH N O N H CH 3 O S N N IC50 = 200.0 nM 395.44 COc1cc2nc(NCCO)ccc2cc1NC(=O)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3978719 OBDepict CH 3 O N H N O N N N OH IC50 = 200.0 nM 335.32 COc1cc2ncccc2cc1NC(=O)c1cnn2cc(O)cnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL4108668 OBDepict O N H S N O N N H H OH IC50 = 246.0 nM 406.47 O=C(Nc1cc2cccnc2cc1O[C@@H]1CC[C@@H](O)C1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL4781702 OBDepict CH 3 HN O HN O N H O N N H N IC50 = 259.0 nM 454.49 CCC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)n3)cc2)c1 Homo sapiens CHEMBL4731589 single protein format
CHEMBL379787 OBDepict O N H N N + N O _ O N O IC50 = 300.0 nM 395.42 O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL870866 single protein format
CHEMBL3924130 OBDepict OH N CH 3 N N S N H O O H 3 C N IC50 = 300.0 nM 409.47 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCO)nc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3969222 OBDepict CH 3 N CH 3 N N H Cl O N N N HO IC50 = 307.0 nM 428.92 CN(C)CC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3958152 OBDepict HO O CH 3 CH 3 N H N O S N N IC50 = 364.0 nM 408.48 CC(C)(CCO)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3735719 OBDepict O N H N N + N O _ O N Ki = 374.0 nM 455.52 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc([N+](=O)[O-])c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL3577124 OBDepict CH 3 N H N N N H 3 C CH 3 NH F N H O H 3 C CH 3 H 3 C IC50 = 390.0 nM 424.52 CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1 Homo sapiens CHEMBL3578507 cell-based format
CHEMBL3920056 OBDepict H 2 N N N H NH O O N N N IC50 = 450.0 nM 469.55 NCC1CCN(c2cc(C(=O)Nc3ccccc3)ccc2NC(=O)c2cnn3cccnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3983893 OBDepict H 2 N O N H N O S N N IC50 = 529.0 nM 379.45 NCCCOc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3903936 OBDepict CH 3 O N H N O S N N NH IC50 = 575.0 nM 391.46 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3900127 OBDepict Cl N H O O H S N H HO N IC50 = 600.0 nM 403.89 O=C(Nc1cc(Cl)ccc1O[C@H]1CC[C@H](O)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3899862 OBDepict OH OH N H N N S N H O O H 3 C N IC50 = 608.0 nM 425.47 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCC(O)CO)nc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3736278 OBDepict O N H N N F F F N Ki = 608.0 nM 478.52 O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL3930442 OBDepict Cl N H N O N N N N OH IC50 = 644.0 nM 372.82 O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2nc(O)cnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3898083 OBDepict OH N N H Cl O S N N IC50 = 700.0 nM 402.91 O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3943097 OBDepict H 2 N N H N N S N H O O CH 3 N IC50 = 712.0 nM 394.46 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NCCN)nc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL210194 OBDepict H 3 C O O N N H N O + N O _ O IC50 = 750.0 nM 368.35 CCOC(=O)Cn1c(NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc21 Homo sapiens CHEMBL870866 single protein format
CHEMBL3893473 OBDepict H 3 C OH O CH 3 N H N O S N N IC50 = 760.0 nM 408.48 CC(O)CC(C)Oc1cc2ncccc2cc1NC(=O)c1csc2cncnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3944795 OBDepict NH 2 N N H Cl O S N N IC50 = 800.0 nM 401.92 NCC1CCN(c2ccc(Cl)cc2NC(=O)c2csc3cncnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3942983 OBDepict CH 3 O N H Cl O S N HN N NH 2 IC50 = 813.0 nM 377.86 COc1ccc(Cl)cc1NC(=O)c1csc2cnc(NCCN)nc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3937613 OBDepict HO O N H O N N N IC50 = 817.0 nM 402.45 O=C(Nc1cc2ccccc2cc1OC1CCC(O)CC1)c1cnn2cccnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3944798 OBDepict OH N N H Cl O N N N OH IC50 = 836.0 nM 401.85 O=C(Nc1cc(Cl)ccc1N1CCC(CO)CC1)c1cnn2cc(O)cnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3953525 OBDepict H 2 N N N H N O S N N IC50 = 850.0 nM 418.53 NCC1CCN(c2cc3ncccc3cc2NC(=O)c2csc3cncnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3889839 OBDepict H 3 C HO N N H Cl O N N N IC50 = 897.0 nM 385.86 CC(O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3735448 OBDepict HO N N H N O O + N O O _ O H 3 C CH 3 H 3 C IC50 = 900.0 nM 516.55 CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2-c1ccc(CCCO)cc1 Homo sapiens CHEMBL3737183 single protein format
CHEMBL4094760 OBDepict H N N N N H O H H N O IC50 = 910.0 nM 385.51 c1nc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c2c(C3CCOCC3)c[nH]c2n1 Homo sapiens CHEMBL4729444 assay format
CHEMBL3960537 OBDepict NH 2 N N H Cl O N N N IC50 = 920.0 nM 384.87 NCC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3902407 OBDepict Cl N H O O S N N H IC50 = 930.0 nM 387.89 O=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1csc2cccnc12 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3890299 OBDepict CH 3 HO N N H Cl O N N N IC50 = 970.0 nM 399.88 CC(O)C1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1 Homo sapiens CHEMBL3887964 single protein format
CHEMBL3353220 OBDepict NH 2 N CH 3 N N S N H O O H 3 C N IC50 = 983.0 nM 408.49 COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCN)nc12 Homo sapiens CHEMBL3372373 single protein format