3D structures mapped by conservation among orthologs

[ Domain: "EF-hand" // EF-hand_7_6 ]

 PyMOL session

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

 PyMOL session

[ Domain: "Voltage gated calcium channel IQ domain" // IQ_like ]

 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
CHEMBL3617050		IC50	=	0.062	nM	552.48	N=C1N[C@@]23[C@H]([C@H]4NC(=N)N2C[C@](OS(=O)(=O)O)(C[C@H]2[C@@H](CO)CON2C4=O)C3(O)O)N1COC(=O)NO	Homo sapiens	CHEMBL3618798	cell-based format
CHEMBL5189924		IC50	=	2.0	nM	511.38	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4cc(C(F)(F)F)ccc4C(F)(F)F)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL5192731		IC50	=	2.0	nM	443.39	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4ccccc4C(F)(F)F)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL5094715		IC50	=	3.4	nM	543.49	C[C@@H](c1cc(Cl)cc(Cl)c1)N1CCC(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2C2CC2)CC1	Homo sapiens	CHEMBL5055700	cell-based format
CHEMBL3657855		IC50	=	8.5	nM	462.59	O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F	Homo sapiens	CHEMBL5055700	cell-based format
CHEMBL5184022		IC50	=	15.0	nM	415.45	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4cccc5c4CCC5)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL507974		IC50	=	25.0	nM	319.27	NC1=N[C@H](O)[C@H]2[C@H]3O[C@]4(O)O[C@@H]([C@@H](O)[C@@]2(N1)[C@@H]4O)[C@]3(O)CO	Homo sapiens	CHEMBL3880175	single protein format
CHEMBL501134		IC50	=	30.0	nM	299.29	N=C1N[C@H]2[C@H](COC(N)=O)NC(=N)N3CCC(O)(O)[C@]23N1	Homo sapiens	CHEMBL3887478	single protein format
CHEMBL5205795		IC50	=	32.0	nM	256.27	N=C1N[C@H]2[C@H](CO)NC(=N)N3CCC(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL5192925		IC50	=	33.0	nM	428.81	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](OC(=O)c4ccc(F)cc4Cl)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL5204844		IC50	=	51.0	nM	444.37	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](OC(=O)c4ccccc4C(F)(F)F)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL5204544		IC50	=	75.0	nM	511.38	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)c4ccc(C(F)(F)F)cc4C(F)(F)F)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL3983577		IC50	=	100.0	nM	353.38	N=C1N[C@H]2[C@H](COC(=O)N3CCCC3)NC(=N)N3CCC(O)(O)[C@]23N1	Homo sapiens	CHEMBL3887478	single protein format
CHEMBL5208387		IC50	=	120.0	nM	445.48	CC1(C)COc2c(C(=O)N[C@H]3CN4C(=N)N[C@@H](CO)[C@@H]5NC(=N)N[C@@]54C3(O)O)cccc21	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL3977689		IC50	=	175.0	nM	341.37	CC(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13	Homo sapiens	CHEMBL3887478	single protein format
CHEMBL5181418		IC50	=	300.0	nM	421.38	N=C1N[C@H]2[C@H](CO)NC(=N)N3C[C@H](NC(=O)C4(C(F)(F)F)CCC4)C(O)(O)[C@]23N1	Homo sapiens	CHEMBL5131291	cell-based format
CHEMBL1813048		IC50	=	400.0	nM	516.52	CC(=O)Nc1cccc(Nc2ncnc(N3CCC(OCc4ccc(OC(F)(F)F)cc4)CC3)n2)c1C	Homo sapiens	CHEMBL1816276	cell-based format
CHEMBL3896454		IC50	=	700.0	nM	381.44	N=C1N[C@H]2[C@H](COC(=O)NC3CCCCC3)NC(=N)N3CCC(O)(O)[C@]23N1	Homo sapiens	CHEMBL3887478	single protein format
CHEMBL38401		Ki	=	25.0	nM	315.28	NC(=O)n1ccc(-c2ccc(Oc3ccc(F)cc3F)cc2)n1	Homo sapiens	CHEMBL805351	cell-based format
CHEMBL37316		Ki	=	31.0	nM	324.3	NC(=O)n1ccc(-c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)n1	Homo sapiens	CHEMBL805351	cell-based format