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Q16881 | TRXR1_HUMAN | "Thioredoxin reductase 1, cytoplasmic" (TXNRD1)

3D structures mapped by conservation among orthologs

[ Domain: "FAD/NAD(P)-binding domain" // Pyr_redox_2_1 ]

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[ Domain: "FAD/NAD(P)-binding domain" // Pyr_redox_2 ]

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[ Domain: "FAD/NAD-linked reduatases, dimerisation (C-terminal) domain" // Pyr_redox_dim ]

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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
CHEMBL4859206 OBDepict OH O N N F F F IC50 = 9.21 nM 306.24 Oc1ccccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 Homo sapiens CHEMBL4837833 single protein format
CHEMBL1876217 OBDepict HO O N N IC50 = 13.19 nM 238.25 Oc1ccccc1-c1nc(-c2ccccc2)no1 Homo sapiens CHEMBL4837833 single protein format
CHEMBL4849098 OBDepict HO O N N IC50 = 17.89 nM 252.27 Oc1ccccc1-c1nc(Cc2ccccc2)no1 Homo sapiens CHEMBL4837833 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 = 43.18 nM 466.54 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 Homo sapiens CHEMBL4837833 single protein format
CHEMBL4757091 OBDepict CH 3 O OH O IC50 = 200.0 nM 256.3 COc1cc(/C=C/C=C2CCC=CC2=O)ccc1O Homo sapiens CHEMBL4671982 cell-based format
CHEMBL4755909 OBDepict CH 3 N CH 3 O IC50 = 200.0 nM 253.34 CN(C)c1ccc(/C=C/C=C2CCC=CC2=O)cc1 Homo sapiens CHEMBL4671982 cell-based format
CHEMBL4798017 OBDepict CH 3 O O IC50 = 400.0 nM 240.3 COc1ccc(/C=C/C=C2CCC=CC2=O)cc1 Homo sapiens CHEMBL4671982 cell-based format
CHEMBL4763453 OBDepict F O IC50 = 600.0 nM 228.27 O=C1C=CCC/C1=CC=Cc1ccc(F)cc1 Homo sapiens CHEMBL4671982 cell-based format
CHEMBL4577957 OBDepict CH 3 O N NH O O H 3 C CH 3 H 3 C H 3 C CH 3 O H 3 C IC50 = 760.0 nM 450.58 COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)/C=C/C(=O)c2ccc(C)cc2)C(C)C)cc1 Homo sapiens CHEMBL4362337 single protein format
CHEMBL4562297 OBDepict F O N O NH O H 3 C H 3 C CH 3 F IC50 = 820.0 nM 440.49 CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(C(=O)/C=C/C(=O)c1ccc(F)cc1)C1CC1 Homo sapiens CHEMBL4362337 single protein format
CHEMBL4459518 OBDepict O O O N H 3 C N H O F CH 3 H 3 C CH 3 F IC50 = 960.0 nM 458.51 CN(CCOC(=O)/C=C/C(=O)c1ccc(F)cc1)C(C(=O)NC(C)(C)C)c1ccc(F)cc1 Homo sapiens CHEMBL4362337 single protein format