3D structures mapped by conservation among orthologs

[ Domain: "Sodium:neurotransmitter symporter family (SNF)-like" // SNF ]

 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
CHEMBL1762471		IC50	=	0.0	nM	426.3	CNCC[C@@H](Oc1cc(Cl)ccc1Cl)c1ccccc1.O=C(O)/C=C/C(=O)O	Homo sapiens	CHEMBL1763071	single protein format
CHEMBL415		IC50	=	0.088	nM	314.86	CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21	Homo sapiens	CHEMBL1909109	cell membrane format
CHEMBL83617		IC50	=	0.11	nM	419.5	NC(=O)c1ccc2c(c1)CCOC2CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1	Homo sapiens	CHEMBL882908	single protein format
CHEMBL173344		IC50	=	0.16	nM	283.42	C=C(C)c1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)CC)cc1	Homo sapiens	CHEMBL808141	single protein format
CHEMBL1275709		IC50	=	0.22	nM	253.35	CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(C#N)cc23)C1	Homo sapiens	CHEMBL1285514	single protein format
CHEMBL471029		IC50	=	0.3	nM	282.43	CCCCN(Cc1ccc2ccccc2c1)[C@H]1CCNC1	Homo sapiens	CHEMBL954293	cell-based format
CHEMBL367408		IC50	=	0.32	nM	269.39	C=Cc1ccc([C@H]2CC3CCC(N3)[C@H]2C(=O)CC)cc1	Homo sapiens	CHEMBL808141	single protein format
CHEMBL5420565		IC50	=	0.32	nM	471.01	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(Cl)cc5)cn4)CC3)c2c1	Homo sapiens	CHEMBL5318152	single protein format
CHEMBL552167		IC50	=	0.32	nM	267.38	CN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(C#N)cc12	Homo sapiens	CHEMBL1064059	cell-based format
CHEMBL5431204		IC50	=	0.35	nM	479.59	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1	Homo sapiens	CHEMBL5318152	single protein format
CHEMBL353333		IC50	=	0.36	nM	371.22	COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(I)cc1)N2	Homo sapiens	CHEMBL873260	single protein format
CHEMBL1275730		IC50	=	0.38	nM	253.35	CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(C#N)cc23)C1	Homo sapiens	CHEMBL1285514	single protein format
CHEMBL439849		IC50	=	0.4	nM	441.54	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1	Homo sapiens	CHEMBL4122691	cell-based format
CHEMBL1276165		IC50	=	0.48	nM	253.35	CN(C)C1CCC(c2c[nH]c3ccc(C#N)cc23)C1	Homo sapiens	CHEMBL1285514	single protein format
CHEMBL196468		IC50	=	0.48	nM	239.32	CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccc(C#N)cc12	Homo sapiens	CHEMBL940969	single protein format
CHEMBL5438420		IC50	=	0.58	nM	472.54	N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ncc(-c5ccc(F)cc5F)cn4)CC3)c2c1	Homo sapiens	CHEMBL5318152	single protein format
CHEMBL1275791		IC50	=	0.63	nM	246.33	CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1	Homo sapiens	CHEMBL1285514	single protein format
CHEMBL3216076		IC50	=	0.64	nM	534.53	Cc1cccc(N2CCN(C[C@H](O)CNC(=O)c3nc(C)n(-c4ccccc4)c3C)CC2)c1C.Cl.Cl	Homo sapiens	CHEMBL1827735	cell-based format
CHEMBL1852501		IC50	=	0.64	nM	461.61	Cc1cccc(N2CCN(C[C@H](O)CNC(=O)c3nc(C)n(-c4ccccc4)c3C)CC2)c1C	Homo sapiens	CHEMBL3705414	cell-based format
CHEMBL234706		IC50	=	0.72	nM	265.36	CN(C)[C@H]1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1	Homo sapiens	CHEMBL893718	cell-based format