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P13569 | CFTR_HUMAN | Cystic fibrosis transmembrane conductance regulator (CFTR)

3D structures mapped by conservation among orthologs

[ Domain: "Type I ABC exporter transmembrane domain fold" // ABC_membrane ]

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[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // ABC_tran_1 ]

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[ Domain: "MOP-like" // PRK11000 ]

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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
CHEMBL1779949 OBDepict CH 3 N _ O + N CH 3 IC50 = 5.0 nM 174.2 Cc1nc2cccc[n+]2c(C)c1[O-] Homo sapiens CHEMBL1780321 cell-based format
CHEMBL1831075 OBDepict Br O O N N H 3 C O N O CH 3 O OH IC50 = 8.0 nM 548.35 Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Br)o1)Oc1ccc(C(=O)O)cc1-3 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1779953 OBDepict OH O H 3 C N H OH N CH 3 HO IC50 = 15.0 nM 288.3 C[C@]1(C(=O)O)N=C2c3ccccc3C=CN2[C@](C)(O)[C@@H]1O Homo sapiens CHEMBL1780321 cell-based format
CHEMBL1779954 OBDepict OH O H 3 C N H OH N CH 3 HO IC50 = 15.0 nM 288.3 C[C@]1(C(=O)O)N=C2c3ccccc3C=CN2[C@](C)(O)[C@H]1O Homo sapiens CHEMBL1780321 cell-based format
CHEMBL1779950 OBDepict CH 3 N _ O + N CH 3 IC50 = 16.0 nM 224.26 Cc1nc2c3ccccc3cc[n+]2c(C)c1[O-] Homo sapiens CHEMBL1780321 cell-based format
CHEMBL1831069 OBDepict Br O O N N H 3 C O N O + N CH 3 O _ O IC50 = 25.0 nM 549.34 Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Br)o1)Oc1ccc([N+](=O)[O-])cc1-3 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1831070 OBDepict CH 3 O O N N CH 3 O N O + N H 3 C O _ O IC50 = 25.0 nM 484.47 Cc1ccc(C2Oc3ccc([N+](=O)[O-])cc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1831073 OBDepict H 3 C O O N O N O O N CH 3 H 3 C O Br IC50 = 25.0 nM 576.4 CCOC(=O)c1ccc2c(c1)-n1c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c1C(c1ccc(Br)o1)O2 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1831058 OBDepict Br O HN N N H 3 C O N O CH 3 IC50 = 50.0 nM 503.36 Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Br)o1)Nc1ccccc1-3 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1831064 OBDepict Br O O N N H 3 C O N O CH 3 IC50 = 90.0 nM 504.34 Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(Br)o1)Oc1ccccc1-3 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL1087004 OBDepict CH 3 O NH N N CH 3 O N O H 3 C IC50 = 90.0 nM 438.49 Cc1ccc(C2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)o1 Homo sapiens CHEMBL1227953 cell-based format
CHEMBL1831059 OBDepict I O HN N N H 3 C O N O CH 3 IC50 = 100.0 nM 550.36 Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)C(c1ccc(I)o1)Nc1ccccc1-3 Homo sapiens CHEMBL1832642 cell-based format
CHEMBL461939 OBDepict S S N O F F F O OH IC50 = 380.0 nM 409.41 O=C(O)c1ccc(/C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 Homo sapiens CHEMBL976298 cell-based format
CHEMBL461940 OBDepict S S N O F F F N N N N H IC50 = 760.0 nM 433.44 O=C1/C(=C/c2ccc(-c3nn[nH]n3)cc2)SC(=S)N1c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL976298 cell-based format
CHEMBL3323418 OBDepict CH 3 O N H + N S N O _ O S N N H O H 3 C H 3 C CH 3 IC50 = 900.0 nM 487.61 COc1ccc([N+](=O)[O-])cc1Nc1nc2c(s1)CCCCc1nc(NC(=O)C(C)(C)C)sc1-2 Homo sapiens CHEMBL3368026 cell-based format