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O00206 | TLR4_HUMAN | Toll-like receptor 4 (TLR4)

3D structures mapped by conservation among orthologs

[ Domain: "Leucine-rich repeats" // LRR_8_1 ]

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[ Domain: "Leucine-rich repeats" // LRR_8 ]

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[ Domain: "Leucine-rich repeats" // LRR_8_3 ]

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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
CHEMBL426184 OBDepict CH 3 O O S N H O O Cl F IC50 = 3.2 nM 361.82 CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl Homo sapiens CHEMBL990604 single protein format
CHEMBL224199 OBDepict CH 3 O O S N H O O Cl F IC50 = 110.0 nM 347.8 CCOC(=O)C1=CCCC1S(=O)(=O)Nc1ccc(F)cc1Cl Homo sapiens CHEMBL990604 single protein format
CHEMBL224563 OBDepict CH 3 O O S N H O O F Cl IC50 = 160.0 nM 361.82 CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1F Homo sapiens CHEMBL990604 single protein format
CHEMBL375048 OBDepict CH 3 O O S N H O O Cl F IC50 = 240.0 nM 375.85 CCOC(=O)C1=CCCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl Homo sapiens CHEMBL990604 single protein format
CHEMBL4643502 OBDepict CH 3 N N N CH 3 H 3 C O NH IC50 = 250.0 nM 336.44 Cc1cc(-c2cc(C)c3nn(C4CCNCC4)cc3c2)cn(C)c1=O Homo sapiens CHEMBL4622223 cell-based format
CHEMBL4450337 OBDepict CH 3 O O S N O O Cl CH F IC50 = 334.0 nM 399.87 C#CCN(c1ccc(F)cc1Cl)S(=O)(=O)C1CCCC=C1C(=O)OCC Homo sapiens CHEMBL4376793 cell-based format
CHEMBL4228510 OBDepict CH 3 O N N O OH O CH 3 IC50 = 540.0 nM 312.32 COc1ccc(C/C(=NO)c2nc3ccc(OC)cc3o2)cc1 Homo sapiens CHEMBL4221124 cell-based format
CHEMBL4875156 OBDepict O N H O H O O IC50 = 560.0 nM 313.35 O=C1C=C2CC[C@@H](NC(=O)OCc3ccccc3)CC2C(=O)C1 Homo sapiens CHEMBL4827931 single protein format
CHEMBL225157 OBDepict CH 3 O O H S NH O O Cl F IC50 = 680.0 nM 361.82 CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl Homo sapiens CHEMBL4221124 cell-based format
CHEMBL4863840 OBDepict H 3 C H O O IC50 = 730.0 nM 288.43 CCCC1CCC([C@@H]2CCC3=CC(=O)CC(=O)C3C2)CC1 Homo sapiens CHEMBL4827931 single protein format