3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep ]

 PyMOL session

[ Domain: "LIM domain-like" // zf-C4 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki 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
CHEMBL2058272		IC50	=	0.029	nM	430.67	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(O)(CC)CC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL2061944	assay format
CHEMBL4159525		IC50	=	0.09	nM	518.78	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@@H](O)C[C@@H]1O	Homo sapiens	CHEMBL4137805	cell-based format
CHEMBL3264162		IC50	=	0.12	nM	458.73	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL3629552		IC50	=	0.21	nM	458.73	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCO)CCCCCC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3632106	assay format
CHEMBL3264160		IC50	=	0.26	nM	430.67	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCO)CCCC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL3264166		IC50	=	0.29	nM	472.75	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CCC(C)(C)O)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL2058273		IC50	=	0.38	nM	458.73	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL2061944	assay format
CHEMBL2058274		IC50	=	0.41	nM	486.78	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@@H](CCCC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL2061944	assay format
CHEMBL3263871		IC50	=	0.5	nM	518.78	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3270480	assay format
CHEMBL846		IC50	=	0.7	nM	416.65	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O	Homo sapiens	CHEMBL912214	single protein format
CHEMBL3264164		IC50	=	0.89	nM	444.7	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CCCO)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL4176277		IC50	=	1.1	nM	398.59	C=CC(=O)CC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C(=C)[C@H](O)C3)CCC[C@]12C	Homo sapiens	CHEMBL4137372	assay format
CHEMBL4068172		IC50	=	1.13	nM	416.65	C=C1/C(=C\C=C2/CCC[C@]3(C)C(C(C)CCCC(C)(C)O)CC[C@@H]23)C[C@@H](O)C[C@@H]1O	Homo sapiens	CHEMBL3999757	cell-based format
CHEMBL3264169		IC50	=	1.55	nM	458.73	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL3264163		IC50	=	1.55	nM	430.67	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CC)CC(C)(C)O)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL4173602		IC50	=	1.75	nM	518.78	C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)CC#C[C@H](O)C45CC6CC(CC(C6)C4)C5)CC[C@@H]23)C[C@@H](O)C[C@@H]1O	Homo sapiens	CHEMBL4137805	cell-based format
CHEMBL3264168		IC50	=	1.79	nM	486.78	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)[C@H](CCCC)CC(O)(CC)CC)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL3267968	assay format
CHEMBL4176693		IC50	=	1.8	nM	412.61	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)/C=C/C)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL4137372	assay format
CHEMBL4796961		IC50	=	1.86	nM	412.61	C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O	Homo sapiens	CHEMBL4775743	single protein format
CHEMBL4166076		IC50	=	1.9	nM	436.64	C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)CCC(=O)C#C/C=C/C)CC[C@@H]23)C[C@H]1O	Homo sapiens	CHEMBL4137372	assay format