3D structures mapped by conservation among orthologs

[ Domain: "Nicotinic receptor ligand binding domain-like" // Neur_chan_LBD ]

 PyMOL session

[ Domain: "Neurotransmitter-gated ion-channel transmembrane pore" // Neur_chan_memb ]

 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
CHEMBL309804		IC50	=	14.0	nM	210.67	N=C1NCCN1Cc1ccc(Cl)nc1	Homo sapiens	CHEMBL3076135	cell-based format
CHEMBL365956		IC50	=	15.6	nM	269.14	O=c1c(Br)ccc2n1C[C@@H]1CNC[C@H]2C1	Homo sapiens	CHEMBL1058165	cell-based format
CHEMBL3		IC50	=	45.0	nM	162.24	CN1CCC[C@H]1c1cccnc1	Homo sapiens	CHEMBL3076135	cell-based format
CHEMBL2270633		IC50	=	180.0	nM	268.7	O=[N+]([O-])/C=C1/NCCCN1Cc1ccc(Cl)nc1	Homo sapiens	CHEMBL3076135	cell-based format
CHEMBL3		Ki	=	220.0	nM	162.24	CN1CCC[C@H]1c1cccnc1	Homo sapiens	CHEMBL752378	cell-based format