3D structures mapped by conservation among orthologs

[ Domain: "Nuclear receptor ligand-binding domain" // Hormone_recep_1 ]

 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
CHEMBL4303467		IC50	=	320.0	nM	422.45	O=c1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[nH]c(=O)n1C1CCCCC1	Homo sapiens	CHEMBL5229225	cell-based format
CHEMBL5177743		Ki	=	0.15	nM	550.77	C=C(c1ccccc1)[C@@]12CC[C@H](NS(N)(=O)=O)C1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1	Homo sapiens	CHEMBL5166602	assay format
CHEMBL4551205		Ki	=	2.1	nM	464.68	C=C(c1ccccc1)[C@@]12CC[C@H](NS(N)(=O)=O)C1CC(CCCCCC)=C2c1ccccc1	Homo sapiens	CHEMBL4345287	assay format
CHEMBL5198453		Ki	=	5.3	nM	472.67	C=C(c1ccccc1)[C@@]12CC[C@@H](O)C1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1	Homo sapiens	CHEMBL5166602	assay format
CHEMBL4644327		Ki	=	18.0	nM	489.7	CN(C[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCCCCCC(=O)O)=C2c1ccccc1)c1ccccc1	Homo sapiens	CHEMBL4625164	assay format
CHEMBL4637563		Ki	=	38.0	nM	481.71	CCCCCCC1=C(c2ccccc2)[C@]2(CN(C)c3ccccc3)CC[C@H](NS(N)(=O)=O)[C@@H]2C1	Homo sapiens	CHEMBL4625164	assay format
CHEMBL4645796		Ki	=	56.0	nM	362.54	CCCCCCC1=C(c2ccccc2)[C@@H]2CC[C@H](NS(N)(=O)=O)[C@@H]2C1	Homo sapiens	CHEMBL4625164	assay format
CHEMBL4638625		Ki	=	280.0	nM	370.53	O=C(O)CCCCCCCCCC1=C(c2ccccc2)[C@@H]2CC[C@@H](O)[C@@H]2C1	Homo sapiens	CHEMBL4625164	assay format
CHEMBL1765959		Ki	=	374.0	nM	386.58	C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1	Homo sapiens	CHEMBL4345287	assay format