3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // cNMP_binding_1 ]

 PyMOL session

[ Domain: "Voltage-gated ion channels" // Ion_trans_2_1 ]

 PyMOL session

[ Domain: "sensor domains" // PAS ]

 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
CHEMBL1257821		IC50	=	0.14	nM	350.46	Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)cc1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1257820		IC50	=	0.25	nM	364.49	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CCCc2ccccc2)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1257578		IC50	=	0.26	nM	356.49	Cc1ccc(CN2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)s1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1257698		IC50	=	0.38	nM	350.46	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL3422978		IC50	=	0.39	nM	513.52	O=C1COc2ccc(CNC34CCC(CCc5ccnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1	Homo sapiens	CHEMBL3424851	single protein format
CHEMBL410832		IC50	=	0.41	nM	375.47	COC1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21	Homo sapiens	CHEMBL922329	single protein format
CHEMBL1257577		IC50	=	0.43	nM	342.46	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2cccs2)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1257937		IC50	=	0.52	nM	350.46	Cc1cccc(CN2[C@@H]3CC[C@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1223951		IC50	=	0.61	nM	336.44	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1257938		IC50	=	0.62	nM	350.46	Cc1ccccc1CN1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C(N)=O)c1)C2	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL1258280		IC50	=	0.62	nM	380.44	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL259732		IC50	=	0.65	nM	341.46	CCCCN1CCC2(CC1)OC(OC)c1c2cnn1-c1ccccc1	Homo sapiens	CHEMBL922329	single protein format
CHEMBL1642479		IC50	=	0.67	nM	440.54	O=c1cc(OCc2ccc3ccccc3c2)ccn1-c1ccc(OCCN2CCCC2)cc1	Homo sapiens	CHEMBL1648563	cell-based format
CHEMBL1258503		IC50	=	0.72	nM	379.46	NC(=O)c1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)Nc2ccccc2)c1	Homo sapiens	CHEMBL1259359	single protein format
CHEMBL3422952		IC50	=	0.73	nM	511.53	COc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)c(F)cnc2cc1F	Homo sapiens	CHEMBL3424851	single protein format
CHEMBL2146867		IC50	=	0.76	nM	398.46	CC1CN(CCc2ccc([N+](=O)[O-])cc2)CCN1CCc1ccc([N+](=O)[O-])cc1	Homo sapiens	CHEMBL2148626	single protein format
CHEMBL1642487		IC50	=	0.81	nM	440.54	CN(CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1)Cc1ccccc1	Homo sapiens	CHEMBL1648563	cell-based format
CHEMBL3422970		IC50	=	0.87	nM	484.56	Cc1nc2c(CCC34CCC(NCc5ccc6c(n5)NC(=O)CO6)(CC3)CO4)ccnc2cc1C#N	Homo sapiens	CHEMBL3424851	single protein format
CHEMBL3422959		IC50	=	0.89	nM	531.51	O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6cc(C(F)(F)F)cnc56)(CC3)OC4)nc2N1	Homo sapiens	CHEMBL3424851	single protein format
CHEMBL296419		IC50	=	0.9	nM	458.58	COc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1	Homo sapiens	CHEMBL768686	single protein format