3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // 14-3-3 ]

 PyMOL session

[ Domain: "beta-beta-alpha zinc fingers" // zf-C2H2_18 ]

 PyMOL session

[ Domain: "beta-beta-alpha zinc fingers" // zf-C2H2_17 ]

 PyMOL session

[ Domain: "beta-beta-alpha zinc fingers" // FOXP-CC ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL504404		IC50	=	620.0	nM	510.54	C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4	Homo sapiens	CHEMBL972431	cell-based format
CHEMBL4205868		IC50	=	640.0	nM	343.42	COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4oc(C)nc4cc3C[C@@H](O)[C@@H]12	Homo sapiens	CHEMBL4190500	cell-based format
CHEMBL1215434		IC50	=	660.0	nM	526.54	C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4C[C@H]2O[C@]24CC=CC(=O)[C@]14C)C(=O)O[C@@]35C	Homo sapiens	CHEMBL972431	cell-based format
CHEMBL504910		IC50	=	700.0	nM	526.54	C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@H]2O[C@]23CC=CC(=O)[C@]13C	Homo sapiens	CHEMBL5250706	single protein format
CHEMBL5281322		IC50	=	700.0	nM	563.0	C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@@]5([C@H]2C1=O)[C@@]3(C)OC(=O)[C@@]5(O)CC[C@H]1[C@H]4C[C@@H](O)[C@@]2(Cl)CC=CC(=O)[C@]12C	Homo sapiens	CHEMBL5250706	single protein format
CHEMBL4214812		IC50	=	740.0	nM	342.44	CCOC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4cc3C[C@@H](O)[C@@H]12	Homo sapiens	CHEMBL4190500	cell-based format