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Q15750 | TAB1_HUMAN | TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 (TAB1)

3D structures mapped by conservation among orthologs

[ Domain: "Protein kinase" // Pkinase_Tyr ]

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[ Domain: "Protein serine/threonine phosphatase 2C, catalytic domain" // PP2C ]

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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
CHEMBL3953067 OBDepict H 3 C CH 3 O N N N H O NH 2 IC50 = 3.1 nM 260.3 CC(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3916326 OBDepict H 3 C O CH 3 N N N H O H 2 N IC50 = 4.3 nM 260.3 CCC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3924740 OBDepict CH 3 O CH 3 N N N H O H 2 N IC50 = 4.4 nM 246.27 CC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3919781 OBDepict H 2 N O N H N O N CH 3 H 3 C CH 3 IC50 = 5.2 nM 274.32 CC(C)(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3917140 OBDepict CH 3 H 3 C O N N N H O H 2 N IC50 = 7.0 nM 258.28 CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3898170 OBDepict H 2 N O N H N O N CH 3 CH 3 CH 3 IC50 = 13.0 nM 260.3 CC(C)(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3912681 OBDepict NH 2 O N H O N N F F IC50 = 16.0 nM 322.32 NC(=O)/C=C/c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3905384 OBDepict CH 3 O N N N H O H 2 N IC50 = 19.0 nM 246.27 CCCOc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3901893 OBDepict NH 2 O N H N O N F F F IC50 = 33.0 nM 286.21 NC(=O)/C=C/c1c[nH]c2ncnc(OCC(F)(F)F)c12 Homo sapiens CHEMBL3889256 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 = 35.0 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL973464 single protein format
CHEMBL3918925 OBDepict CH 3 N H O N H O N N H 3 C H 3 C IC50 = 41.0 nM 274.32 CNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3969384 OBDepict NH 2 O N H N O N F IC50 = 51.0 nM 312.3 NC(=O)/C=C/c1c[nH]c2ncnc(OCc3cccc(F)c3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3895287 OBDepict H 2 N O N H N O N OH CH 3 H 3 C IC50 = 75.0 nM 276.3 CC(C)(O)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3919897 OBDepict CH 3 H 3 C O N N N H N O CH 3 H 3 C IC50 = 97.0 nM 288.35 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)N(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3963009 OBDepict H 3 C CH 3 O N N N H O H 3 C IC50 = 100.0 nM 259.31 CC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3894718 OBDepict N N H O N N H 3 C CH 3 IC50 = 170.0 nM 242.28 CC(C)COc1ncnc2[nH]cc(/C=CC#N)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3902720 OBDepict NH 2 O N H N O N IC50 = 170.0 nM 280.29 NC(=O)/C=C/c1c[nH]c2ncnc(Oc3ccccc3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3934288 OBDepict CH 3 H 3 C O N N N H N H O IC50 = 180.0 nM 300.36 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC3CC3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3922526 OBDepict CH 3 O O N H O N N H 3 C H 3 C IC50 = 200.0 nM 275.31 COC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3893882 OBDepict CH 3 O N H O N N H 3 C H 3 C IC50 = 200.0 nM 273.34 CCC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3897406 OBDepict N N H O N N H 3 C CH 3 IC50 = 210.0 nM 242.28 CC(C)COc1ncnc2[nH]cc(/C=C/C#N)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3905341 OBDepict Cl O N H O N N H 3 C CH 3 IC50 = 280.0 nM 267.72 CC(C)COc1ncnc2[nH]cc(C(=O)CCl)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3909192 OBDepict N N H O N N IC50 = 330.0 nM 276.3 N#C/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3919844 OBDepict CH 3 N H O N H O N N CH 3 H 3 C IC50 = 340.0 nM 288.35 CCNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3975493 OBDepict H 3 C CH 3 O N N N H O OH IC50 = 340.0 nM 261.28 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3895447 OBDepict CH 3 O O N H N O N IC50 = 350.0 nM 309.32 COC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3973552 OBDepict CH 3 H 3 C O N N N H Cl O H 2 N IC50 = 360.0 nM 294.74 CC(C)COc1ncnc2[nH]cc(/C=C(Cl)C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3929132 OBDepict CH 3 H 3 C O N N N H N H O IC50 = 380.0 nM 314.39 CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NCC3CC3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3912629 OBDepict H 3 C CH 3 O N N N H O NH 2 IC50 = 420.0 nM 274.32 CC(C)COc1ncnc2[nH]cc(C/C=C/C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3925269 OBDepict CH 3 O O H 3 C N H O N N CH 3 H 3 C IC50 = 430.0 nM 289.34 COC(=O)/C(C)=C/c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3901362 OBDepict H 3 C CH 3 O N N N N H IC50 = 560.0 nM 216.24 CC(C)COc1ncnc2[nH]cc(C#N)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3891089 OBDepict NH 2 O N H O N N IC50 = 730.0 nM 294.31 NC(=O)/C=C/c1c[nH]c2ncnc(OCc3ccccc3)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3907201 OBDepict N H 2 C N H O N N CH 3 H 3 C IC50 = 750.0 nM 242.28 C=C(C#N)c1c[nH]c2ncnc(OCC(C)C)c12 Homo sapiens CHEMBL3889256 single protein format
CHEMBL3897133 OBDepict CH 3 H 3 C O N N N H F O H 2 N IC50 = 860.0 nM 278.29 CC(C)COc1ncnc2[nH]cc(/C=C(F)C(N)=O)c12 Homo sapiens CHEMBL3889256 single protein format