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Q8IVH8 | M4K3_HUMAN | Mitogen-activated protein kinase kinase kinase kinase 3 (MAP4K3)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL388978 OBDepict CH 3 HN H H O H O N H 3 C H 3 C N O N H IC50 = 0.0825 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328431 single protein format
CHEMBL4780798 OBDepict HO NH H N N N H O N N CH 3 H 3 C O N O IC50 = 0.46 nM 567.65 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C56CCN(CC5)CC6)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4778959 OBDepict OH HN H N N NH O N N H 3 C H 3 C O N O H 3 C IC50 = 1.5 nM 555.64 CN1CCC(c2noc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)n2)CC1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4762312 OBDepict Cl O Cl F H 2 N N N N N H IC50 = 5.0 nM 446.31 Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3c(Cl)ccc(F)c3Cl)oc12 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4782885 OBDepict F O NH 2 N N N N H IC50 = 18.0 nM 377.42 Nc1ncc(-c2cnn(C3CCNCC3)c2)c2cc(-c3cccc(F)c3)oc12 Homo sapiens CHEMBL4674513 single protein format
CHEMBL2086760 OBDepict CH 3 N N H N H O N N H Cl IC50 = 25.0 nM 447.97 CCN1CCC(Nc2ccc3c(c2)C(=C(c2ccc(Cl)cc2)c2ncc[nH]2)C(=O)N3)CC1 Homo sapiens CHEMBL2091834 single protein format
CHEMBL4790577 OBDepict NH 2 N NH N N Cl Cl F N H IC50 = 31.0 nM 435.33 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1NCc1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4788727 OBDepict H 2 N N O N N N N H IC50 = 33.0 nM 350.43 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccncc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL518323 OBDepict NH 2 N O N N Cl Cl F N H IC50 = 39.0 nM 436.32 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4789200 OBDepict OH HN H N N N H O N N H 3 C H 3 C O N O IC50 = 41.0 nM 535.56 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(-c5ccncc5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4759406 OBDepict HO NH H N N N H O N N CH 3 CH 3 H 3 C CH 3 H 3 C O O IC50 = 43.0 nM 514.59 CC(C)(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4750822 OBDepict HO NH H N N N H O N N H 3 C CH 3 CH 3 H 3 C O O IC50 = 43.0 nM 500.56 CC(C)c1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4784181 OBDepict OH N H H N N NH O N N CH 3 H 3 C O O IC50 = 46.0 nM 498.54 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(C5CC5)no4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL601719 OBDepict NH 2 N O CH 3 H N N Cl Cl F HN IC50 = 49.0 nM 450.35 C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4758114 OBDepict HO NH H N N N H O N N H 3 C CH 3 H 3 C O O IC50 = 68.0 nM 486.53 CCc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4757394 OBDepict H 2 N N O N N N H IC50 = 74.0 nM 355.49 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCC1CCCCC1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4790293 OBDepict H 2 N N O N N N H IC50 = 76.0 nM 341.46 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC1CCCCC1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4742776 OBDepict H 2 N N O N N N N N H IC50 = 77.0 nM 351.41 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccnnc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4748045 OBDepict CH 3 O O N N N H HN H OH CH 3 CH 3 O O IC50 = 79.0 nM 462.51 CCOC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4761884 OBDepict OH HN H N N N H N H O CH 3 CH 3 CH 3 O O IC50 = 80.0 nM 447.5 CNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4779496 OBDepict HO NH H N N N H N O N CH 3 CH 3 H 3 C O O IC50 = 85.0 nM 472.51 Cc1nnc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)o1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4755070 OBDepict H 2 N N N N N H IC50 = 87.0 nM 343.43 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C#Cc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4790192 OBDepict HO NH H N N N H O N N CH 3 CH 3 H 3 C O O IC50 = 94.0 nM 472.51 Cc1noc(-c2cnc(Nc3ccc4c(c3)C(C)(C)OC4=O)nc2N[C@H](CO)c2ccccc2)n1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 106.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261442 single protein format
CHEMBL4757177 OBDepict NH 2 N N O CH 3 H N N Cl Cl F HN IC50 = 110.0 nM 451.33 C[C@@H](Oc1nc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4782953 OBDepict H 2 N N O N N N H IC50 = 120.0 nM 349.44 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1COc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4749598 OBDepict H 3 C N H O N N N H NH H HO H 3 C H 3 C O O IC50 = 130.0 nM 475.55 CCCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4748154 OBDepict OH HN H N N N H N O N H 3 C H 3 C O O IC50 = 140.0 nM 458.48 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4784784 OBDepict OH HN H N N N H N O N H 3 C H 3 C O O IC50 = 140.0 nM 498.54 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C5CC5)o4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4744805 OBDepict F H 2 N N N N N H IC50 = 160.0 nM 387.46 Nc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)cc12 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4751159 OBDepict NH 2 N O N N F F F N H IC50 = 180.0 nM 417.44 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1C(F)(F)F Homo sapiens CHEMBL4674513 single protein format
CHEMBL4778070 OBDepict NH 2 N O N N Cl N H IC50 = 180.0 nM 383.88 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4780336 OBDepict H 2 N N O N N N H IC50 = 190.0 nM 349.44 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4757014 OBDepict H 3 C O O H 2 N N N N NH IC50 = 197.0 nM 379.46 COc1ccccc1COc1cc(-c2cnn(C3CCNCC3)c2)cnc1N Homo sapiens CHEMBL4674513 single protein format
CHEMBL4741772 OBDepict OH HN H N N NH N O N H 3 C H 3 C O N O H 3 C IC50 = 200.0 nM 555.64 CN1CCC(c2nnc(-c3cnc(Nc4ccc5c(c4)C(C)(C)OC5=O)nc3N[C@H](CO)c3ccccc3)o2)CC1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4782872 OBDepict O NH H 2 N N N N N H IC50 = 200.0 nM 362.44 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)Nc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4745378 OBDepict CH 3 N H O N N N H HN H OH CH 3 CH 3 O O IC50 = 200.0 nM 461.52 CCNC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4776227 OBDepict OH HN H N N N H O NH 2 H 3 C H 3 C O O IC50 = 240.0 nM 433.47 CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4638981 OBDepict O N H H 3 C Cl N N N N N H N IC50 = 240.4 nM 507.99 Cc1ccc(C(=O)Nc2ccc(CN3Cc4cn[nH]c4C3)c(Cl)c2)cc1C#Cc1cnc2cccnn12 Homo sapiens CHEMBL4605671 single protein format
CHEMBL4761177 OBDepict H 2 N N O S N N H IC50 = 258.0 nM 372.54 Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCC1CCCCC1 Homo sapiens CHEMBL4674512 cell-based format
CHEMBL4758887 OBDepict HO NH H N N NH N O N H 3 C CH 3 O N O IC50 = 280.0 nM 567.65 CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(C56CCN(CC5)CC6)o4)c(N[C@H](CO)c4ccccc4)n3)cc21 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4743396 OBDepict H 2 N N N N N H IC50 = 310.0 nM 347.47 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CCc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4788337 OBDepict Cl O NH 2 N N N N H IC50 = 330.0 nM 383.88 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccc(Cl)c1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4741426 OBDepict NH 2 N O N N N N CH 3 HN IC50 = 330.0 nM 353.43 Cn1cncc1COc1cc(-c2cnn(C3CCNCC3)c2)cnc1N Homo sapiens CHEMBL4674513 single protein format
CHEMBL4749141 OBDepict H 2 N N O S N N N H IC50 = 434.0 nM 367.48 Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OCc1ccncc1 Homo sapiens CHEMBL4674511 cell-based format
CHEMBL4761304 OBDepict OH HN H N N N H N H O CH 3 CH 3 CH 3 CH 3 O O IC50 = 470.0 nM 475.55 CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)C(C)(C)OC3=O)nc1N[C@H](CO)c1ccccc1 Homo sapiens CHEMBL4689492 single protein format
CHEMBL4753188 OBDepict F N H 2 N N N N N H IC50 = 490.0 nM 388.45 Nc1ncc(-c2cnn(C3CCNCC3)c2)c2ccc(-c3cccc(F)c3)nc12 Homo sapiens CHEMBL4674512 cell-based format
CHEMBL4793638 OBDepict NH 2 N O N N F F F N H IC50 = 510.0 nM 417.44 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4749926 OBDepict CH 3 O O NH 2 N N N HN IC50 = 564.0 nM 379.46 COc1cccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4785602 OBDepict H 2 N N O S N N H IC50 = 645.0 nM 358.51 Nc1ncc(-c2cnc(C3CCNCC3)s2)cc1OC1CCCCC1 Homo sapiens CHEMBL4674512 cell-based format
CHEMBL1825141 OBDepict NH 2 N O CH 3 H N N Cl Cl F HN IC50 = 680.0 nM 450.35 C[C@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674513 single protein format
CHEMBL4793665 OBDepict CH 3 N N S N O NH 2 N IC50 = 711.0 nM 395.53 CCN1CCC(c2ncc(-c3cnc(N)c(OCc4ccncc4)c3)s2)CC1 Homo sapiens CHEMBL4674511 cell-based format
CHEMBL4785806 OBDepict H 2 N N O N N N N H IC50 = 790.0 nM 350.43 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1ccccn1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4787335 OBDepict CH 3 N N O NH 2 N N N HN IC50 = 820.0 nM 353.43 Cn1cc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cn1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4800136 OBDepict H 2 N N N H N N N H IC50 = 820.0 nM 348.45 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1CNc1ccccc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4755176 OBDepict CH 3 O O NH 2 N N N HN IC50 = 840.0 nM 379.46 COc1ccc(COc2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4786008 OBDepict H 2 N N O N N N N H IC50 = 890.0 nM 350.43 Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1OCc1cccnc1 Homo sapiens CHEMBL4674513 single protein format
CHEMBL4568440 OBDepict H 3 C O Cl Cl F H 2 N N N N NH IC50 = 1000.0 nM 464.37 CCC(Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl Homo sapiens CHEMBL4674512 cell-based format