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P19838 | NFKB1_HUMAN | Nuclear factor NF-kappa-B p105 subunit (NFKB1)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // Death ]

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[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // RHD_dimer ]

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[ Domain: "Common fold of diphtheria toxin/transcription factors/cytochrome f" // RHD_DNA_bind ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL336546 OBDepict Cl N N F F F N H O F F F F F F IC50 = 50.0 nM 437.65 O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL752719 cell-based format
CHEMBL438139 OBDepict CH 3 O O OH H H HO H O N O O CH 3 CH 3 H 3 C CH 3 IC50 = 75.0 nM 505.57 COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)[C@H](C(=O)N(C)C)[C@H]3c2ccccc2)cc1 Homo sapiens CHEMBL1109181 cell-based format
CHEMBL131636 OBDepict CH 3 O O N H F F F O N N F F F Cl IC50 = 170.0 nM 469.77 CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL752719 cell-based format
CHEMBL134490 OBDepict CH 3 O O N H F F F O N N F F F Cl IC50 = 280.0 nM 441.72 CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL752719 cell-based format
CHEMBL135133 OBDepict Cl N N F F F N H O F F F IC50 = 380.0 nM 369.65 O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL752719 cell-based format
CHEMBL334485 OBDepict Cl N N F F F N H O Cl Cl IC50 = 500.0 nM 370.55 O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL752719 cell-based format
CHEMBL423153 OBDepict CH 3 O O N H F F F O N N F F F Cl IC50 = 620.0 nM 497.82 CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(C(F)(F)F)c1 Homo sapiens CHEMBL752719 cell-based format
CHEMBL336099 OBDepict Cl N N F F F N H O N Cl N Cl IC50 = 800.0 nM 372.52 O=C(Nc1cc(Cl)nc(Cl)n1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL752719 cell-based format
CHEMBL134603 OBDepict Cl N N F F F N H O Cl Cl Cl IC50 = 900.0 nM 404.99 O=C(Nc1cc(Cl)c(Cl)c(Cl)c1)c1cnc(Cl)nc1C(F)(F)F Homo sapiens CHEMBL752719 cell-based format