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P51955 | NEK2_HUMAN | Serine/threonine-protein kinase Nek2 (NEK2)

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
CHEMBL4062453 OBDepict CH 3 N CH 3 N N N N O O NH 2 F IC50 = 1.0 nM 498.56 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(F)c5)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL4063211 OBDepict H 3 C N H 3 C N N N N O O NH 2 IC50 = 3.0 nM 480.57 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL4860697 OBDepict CH 3 N H 3 C N N N N S O O H 2 N CH 3 H F F F IC50 = 3.2 nM 568.63 C[C@@H](Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL4831022 single protein format
CHEMBL1802381 OBDepict Cl O N H O N H IC50 < 6.0 nM 286.72 O=C1Nc2ccc(C(=O)CCl)cc2/C1=C/c1ccc[nH]1 Homo sapiens CHEMBL1804637 single protein format
CHEMBL4091089 OBDepict H 3 C N H 3 C N N N N O O NH 2 F F F IC50 = 7.0 nM 548.57 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5cccc(C(F)(F)F)c5)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL4761747 OBDepict HC N N N H N N H S N O O CH 3 H 3 C IC50 = 10.0 nM 356.41 C#Cc1nc(Nc2cccc(CS(=O)(=O)N(C)C)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4763380 OBDepict CH N N N H N N H O N H 3 C IC50 = 10.0 nM 318.34 C#Cc1nc(Nc2ccc3c(c2)C(=O)N(C)CC3)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL1802383 OBDepict H N N CH 3 N H O O Cl IC50 = 20.0 nM 301.73 Cc1nc[nH]c1/C=C1C(=O)Nc2ccc(C(=O)CCl)cc21 Homo sapiens CHEMBL1804637 single protein format
CHEMBL1794070 OBDepict H 3 C N O N N S O O NH 2 H 3 C H Cl IC50 = 21.0 nM 511.05 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl Homo sapiens CHEMBL960866 single protein format
CHEMBL2042135 OBDepict CH 3 N CH 3 S N H 2 N O O NH 2 H 3 C H F F F IC50 = 22.0 nM 490.55 C[C@H](/C=CC(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O Homo sapiens CHEMBL2044151 single protein format
CHEMBL1615278 OBDepict H 3 C N O N N S O O NH 2 H 3 C H F F F IC50 = 25.0 nM 544.6 C[C@@H](Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL960866 single protein format
CHEMBL4796125 OBDepict H 3 C NH O N H N N N CH N H IC50 = 26.0 nM 292.3 C#Cc1nc(Nc2cccc(C(=O)NC)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042136 OBDepict CH 3 N H 3 C S N NH 2 O O NH 2 CH 3 H F F F IC50 = 37.0 nM 540.61 C[C@@H](Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4743876 OBDepict CH N N N H N N H N H O CH 3 IC50 = 39.0 nM 292.3 C#Cc1nc(Nc2cccc(NC(C)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4779487 OBDepict CH N N N H N N H N H 3 C O IC50 = 42.0 nM 318.34 C#Cc1nc(Nc2ccc3c(c2)CN(C)C(=O)C3)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042036 OBDepict H 3 C N H 3 C S CH 3 N NH 2 O O NH 2 CH 3 F F F IC50 = 47.0 nM 554.64 Cc1cc(-c2cnc(N)c(-c3ccc(C(N)=O)c(OC(C)c4ccccc4C(F)(F)F)c3)c2)sc1CN(C)C Homo sapiens CHEMBL2044151 single protein format
CHEMBL2042035 OBDepict H 3 C N CH 3 S N NH 2 O O H 2 N CH 3 F F F IC50 = 47.0 nM 540.61 CC(Oc1cc(-c2cc(-c3ccc(CN(C)C)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4775990 OBDepict CH N N N H N N H N O H 3 C CH 3 IC50 = 50.0 nM 306.33 C#Cc1nc(Nc2cccc(C(=O)N(C)C)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4783060 OBDepict HC N N N H N N H S O O CH 3 IC50 = 57.0 nM 327.37 C#Cc1nc(Nc2cccc(CS(C)(=O)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4796754 OBDepict CH N N N H N N H N O H 3 C CH 3 IC50 = 57.0 nM 320.36 C#Cc1nc(Nc2ccc(CC(=O)N(C)C)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042037 OBDepict H 3 C N H 3 C S CH 3 N NH 2 O O NH 2 CH 3 F F F IC50 = 58.0 nM 554.64 Cc1cc(CN(C)C)sc1-c1cnc(N)c(-c2ccc(C(N)=O)c(OC(C)c3ccccc3C(F)(F)F)c2)c1 Homo sapiens CHEMBL2044151 single protein format
CHEMBL2042040 OBDepict CH 3 N H 3 C S N NH 2 O O NH 2 H 3 C F F F IC50 = 59.0 nM 540.61 CC(Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL1802382 OBDepict H N N N H O O Cl IC50 = 60.0 nM 287.71 O=C1Nc2ccc(C(=O)CCl)cc2/C1=C/c1cnc[nH]1 Homo sapiens CHEMBL1804637 single protein format
CHEMBL4786783 OBDepict CH N N N H N N H O NH 2 IC50 = 62.0 nM 292.3 C#Cc1nc(Nc2cccc(CC(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4748191 OBDepict CH N N N H N N H N O CH 3 H 3 C IC50 = 64.0 nM 306.33 C#Cc1nc(Nc2ccc(C(=O)N(C)C)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4795738 OBDepict CH 3 HN O NH O CH 3 N H N N N CH N H IC50 = 71.0 nM 363.38 C#Cc1nc(Nc2ccc(C(C(=O)NC)C(=O)NC)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4746054 OBDepict CH 3 HN O N H N N N CH N H IC50 = 72.0 nM 306.33 C#Cc1nc(Nc2ccc(CC(=O)NC)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042041 OBDepict CH 3 O F F F O H 2 N H 2 N N S N CH 3 H 3 C IC50 = 73.0 nM 490.55 CC(/C=CC(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O Homo sapiens CHEMBL2044151 single protein format
CHEMBL4783265 OBDepict H 3 C N H O N H N N N CH N H IC50 = 76.0 nM 306.33 C#Cc1nc(Nc2cccc(CC(=O)NC)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4776787 OBDepict CH N N N H N N H O CH 3 IC50 = 76.0 nM 291.31 C#Cc1nc(Nc2cccc(CC(C)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4746829 OBDepict CH N N N H N N H O NH 2 IC50 = 79.0 nM 306.33 C#Cc1nc(Nc2cccc(CCC(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4087758 OBDepict H 3 C N H 3 C N N N N O O NH 2 F IC50 = 87.0 nM 498.56 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5F)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL4761123 OBDepict CH N N N H N N H N O CH 3 H 3 C IC50 = 88.0 nM 320.36 C#Cc1nc(Nc2cccc(CC(=O)N(C)C)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042038 OBDepict NH 2 N S O O NH 2 H 3 C N F F F IC50 = 93.0 nM 580.68 CC(Oc1cc(-c2cc(-c3ccc(CN4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4776060 OBDepict CH N N N H N N H O NH 2 IC50 = 93.0 nM 292.3 C#Cc1nc(Nc2ccc(CC(N)=O)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4754015 OBDepict HC N N N H N N H NH O IC50 = 100.0 nM 290.29 C#Cc1nc(Nc2ccc3c(c2)CC(=O)N3)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4753609 OBDepict CH N N N H N N H O NH 2 IC50 = 110.0 nM 278.28 C#Cc1nc(Nc2ccc(C(N)=O)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4756141 OBDepict H 3 C N H O N H N N N CH N H IC50 = 110.0 nM 292.3 C#Cc1nc(Nc2ccc(C(=O)NC)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4759854 OBDepict CH N N N H N N H O H 2 N IC50 = 116.0 nM 278.28 C#Cc1nc(Nc2cccc(C(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL2042031 OBDepict CH 3 N CH 3 N NH 2 O O NH 2 H 3 C F F F IC50 = 120.0 nM 534.58 CC(Oc1cc(-c2cc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4754958 OBDepict HC N N N H N N H S O O NH 2 IC50 = 130.0 nM 328.36 C#Cc1nc(Nc2cccc(CS(N)(=O)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL1802384 OBDepict Cl O N H O N CH 3 N H H 3 C IC50 = 130.0 nM 329.79 CCc1nc(C)c(/C=C2C(=O)Nc3ccc(C(=O)CCl)cc32)[nH]1 Homo sapiens CHEMBL1804637 single protein format
CHEMBL4074015 OBDepict HC N N N H N N H S O O NH 2 IC50 = 140.0 nM 314.33 C#Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4094562 OBDepict CH N N N H N N H IC50 = 140.0 nM 235.25 C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL1689158 OBDepict CH 3 N O N N S O O H 2 N H 3 C F F F IC50 = 160.0 nM 544.6 CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1693342 single protein format
CHEMBL1276848 OBDepict CH 3 O O CH 3 O N H 3 C N N H 2 N H CH 3 H H 3 C H O HO IC50 = 200.0 nM 416.48 COc1cc(-c2cnc(N)c(N3CC[C@@H](C(=O)O)[C@@H](C)[C@H]3C)n2)cc(OC)c1OC Homo sapiens CHEMBL1286646 single protein format
CHEMBL2042032 OBDepict CH 3 N CH 3 N NH 2 O O NH 2 H 3 C F F F IC50 = 210.0 nM 534.58 CC(Oc1cc(-c2cc(-c3cccc(CN(C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4751371 OBDepict CH N N N H N N H CH 3 CH 3 O NH 2 IC50 = 210.0 nM 320.36 C#Cc1nc(Nc2cccc(C(C)(C)C(N)=O)c2)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4281823 OBDepict CH 3 N N N NH 2 N O O F F F IC50 = 268.0 nM 481.48 CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc21 Homo sapiens CHEMBL4261424 single protein format
CHEMBL180022 OBDepict CH 3 O NH N O N H N N CH 3 H 3 C Cl O N IC50 = 274.0 nM 557.05 CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3370853 single protein format
CHEMBL1090360 OBDepict O N H N N S N N HN N O IC50 = 310.0 nM 587.71 O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1 Homo sapiens CHEMBL1109687 single protein format
CHEMBL2042039 OBDepict NH 2 N S O O NH 2 H 3 C N F F F O IC50 = 318.0 nM 582.65 CC(Oc1cc(-c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 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 = 345.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4328524 single protein format
CHEMBL1615277 OBDepict H 3 C N O N N O O NH 2 CH 3 H F F F IC50 = 360.0 nM 538.57 C[C@@H](Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1693342 single protein format
CHEMBL1689168 OBDepict CH 3 N H 3 C O N N O O NH 2 H 3 C F F F IC50 = 380.0 nM 526.56 CC(Oc1cc(-n2cnc3cc(OCCCN(C)C)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1693342 single protein format
CHEMBL4105643 OBDepict CH 3 N CH 3 N N N N O O NH 2 F F F IC50 = 386.0 nM 548.57 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccc(C(F)(F)F)cc5)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL1802869 OBDepict HC NH O N H O N CH 3 N H IC50 = 390.0 nM 292.3 C#CC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]cnc1C)C(=O)N2 Homo sapiens CHEMBL1804637 single protein format
CHEMBL4101298 OBDepict CH 3 N CH 3 N N N N O O NH 2 F F F IC50 = 478.0 nM 548.57 CN(C)CCn1cc(-c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5C(F)(F)F)c4)cnc3c2)cn1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL1689165 OBDepict H 3 C N O N N O O NH 2 H 3 C F F F IC50 = 570.0 nM 538.57 CC(Oc1cc(-n2cnc3cc(OC4CCN(C)CC4)ccc32)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1693342 single protein format
CHEMBL4062949 OBDepict H 3 C N O N N O O NH 2 CH 3 H F F F IC50 = 591.0 nM 538.57 C[C@@H](Oc1cc(-c2cnc3cc(OC4CCN(C)CC4)ccn23)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL4003695 cell-based format
CHEMBL1802388 OBDepict CH N H O N H O N N H IC50 = 620.0 nM 278.27 C#CC(=O)Nc1ccc2c(c1)/C(=C/c1cnc[nH]1)C(=O)N2 Homo sapiens CHEMBL1804637 single protein format
CHEMBL1689164 OBDepict CH 3 N O N N O O NH 2 CH 3 F F F IC50 = 660.0 nM 538.57 CC(Oc1cc(-n2cnc3ccc(OC4CCN(C)CC4)cc32)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL1693342 single protein format
CHEMBL607707 OBDepict CH 3 O NH N O N H N N CH 3 H 3 C Cl F IC50 = 661.0 nM 467.93 CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C Homo sapiens CHEMBL3370853 single protein format
CHEMBL1236145 OBDepict CH 3 O O O CH 3 H 3 C N N H 2 N O HO IC50 = 710.0 nM 381.39 COc1cc(-c2cnc(N)c(-c3ccc(C(=O)O)cc3)n2)cc(OC)c1OC Homo sapiens CHEMBL1286645 single protein format
CHEMBL1277019 OBDepict H 3 C S N N N H 2 N O HO IC50 = 720.0 nM 332.43 CCc1ccsc1-c1cnc(N)c(N2CCC(C(=O)O)CC2)n1 Homo sapiens CHEMBL1286645 single protein format
CHEMBL1277755 OBDepict CH 3 O O CH 3 O N H 3 C N N H 2 N H H 3 C H O HO IC50 = 720.0 nM 402.45 COc1cc(-c2cnc(N)c(N3CC[C@@H](C(=O)O)[C@@H](C)C3)n2)cc(OC)c1OC Homo sapiens CHEMBL1286641 single protein format
CHEMBL1802870 OBDepict HC NH O N H O N CH 3 N H CH 3 IC50 = 770.0 nM 320.35 C#CC(=O)Nc1ccc2c(c1)/C(=C/c1[nH]c(CC)nc1C)C(=O)N2 Homo sapiens CHEMBL1804637 single protein format
CHEMBL2042029 OBDepict CH 3 N CH 3 N N NH 2 O O NH 2 H 3 C F F F IC50 = 790.0 nM 535.57 CC(Oc1cc(-c2nc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL2044151 single protein format
CHEMBL4065063 OBDepict H 3 C N O N N O O NH 2 IC50 = 808.0 nM 456.55 CN1CCC(Oc2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5)c4)cnc3c2)CC1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL4785527 OBDepict CH N N N H N N H NH O IC50 = 820.0 nM 290.29 C#Cc1nc(Nc2cccc3c2NC(=O)C3)nc2[nH]cnc12 Homo sapiens CHEMBL4700126 assay format
CHEMBL4102393 OBDepict CH 3 N O N N O O NH 2 F F F IC50 = 838.0 nM 524.54 CN1CCC(Oc2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5C(F)(F)F)c4)cnc3c2)CC1 Homo sapiens CHEMBL4003695 cell-based format
CHEMBL1802387 OBDepict CH N H O N H O N H IC50 = 920.0 nM 277.28 C#CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc[nH]1)C(=O)N2 Homo sapiens CHEMBL1804637 single protein format
CHEMBL4083300 OBDepict CH 3 N H 3 C N N N N O O NH 2 CH 3 H F F F IC50 = 927.0 nM 562.6 C[C@@H](Oc1cc(-c2cnc3cc(-c4cnn(CCN(C)C)c4)ccn23)ccc1C(N)=O)c1ccccc1C(F)(F)F Homo sapiens CHEMBL4003695 cell-based format
CHEMBL1231522 OBDepict CH 3 O O CH 3 O N H 3 C N N H 2 N O HO IC50 = 940.0 nM 388.42 COc1cc(-c2cnc(N)c(N3CCC(C(=O)O)CC3)n2)cc(OC)c1OC Homo sapiens CHEMBL1286646 single protein format
CHEMBL4568087 OBDepict H 3 C N N N N N S N H O H H H 2 N IC50 = 950.0 nM 421.53 Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1 Homo sapiens CHEMBL4479754 assay format