3D structures mapped by conservation among orthologs

[ Domain: "Double-stranded beta-helix" // JmjC_1 ]

 PyMOL session

[ Domain: "C-terminal helical domain in Jumonji domain-containing histone demethylases" // KOG1246_2nd ]

 PyMOL session

[ Domain: "LIM domain-like" // KOG1246_3rd ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL1230640		IC50	=	140.0	nM	189.17	O=C(O)c1ccc(O)c2ncccc12	Homo sapiens	CHEMBL3112251	single protein format
CHEMBL3188597		IC50	=	150.0	nM	389.46	O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3753391		IC50	=	150.0	nM	378.44	O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752893		IC50	=	200.0	nM	395.49	O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3CC2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752179		IC50	=	210.0	nM	379.42	O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2ccnn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3753740		IC50	=	270.0	nM	379.42	O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2nccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL278315		IC50	=	400.0	nM	560.64	COC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	Homo sapiens	CHEMBL5141192	single protein format
CHEMBL109480		IC50	=	400.0	nM	585.7	C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	Homo sapiens	CHEMBL5141192	single protein format
CHEMBL3752769		IC50	=	490.0	nM	364.41	O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752835		IC50	=	550.0	nM	411.44	O=C(O)CCNc1nc(N2CCN(c3ccc(F)cc3)CC2)cc(-n2cccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752143		IC50	=	600.0	nM	428.49	O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccc(F)cc3)CC2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752551		IC50	=	740.0	nM	462.34	O=C(O)CCNc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(-n2cccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3753449		IC50	=	750.0	nM	392.46	O=C(O)CCNc1nc(N2CCC(c3ccccc3)CC2)cc(-n2cccn2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL1982368		IC50	=	860.0	nM	308.77	Clc1ccc(N/N=C(\c2ccccc2)c2ccccn2)nc1	Homo sapiens	CHEMBL5237467	single protein format
CHEMBL3752294		IC50	=	900.0	nM	411.49	O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccccn3)CC2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3752343		IC50	=	940.0	nM	479.39	O=C(O)CCNc1nc(-c2nccs2)cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3753199		IC50	=	990.0	nM	381.46	O=C(O)CCNc1nc(-c2nccs2)cc(N2CCc3ccccc3C2)n1	Homo sapiens	CHEMBL3757620	single protein format
CHEMBL3774692		IC50	=	1000.0	nM	221.24	Nc1nc(-c2cc(C(=O)O)ccn2)cs1	Homo sapiens	CHEMBL3776391	single protein format
CHEMBL4280291		IC50	=	1000.0	nM	402.36	Fc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1	Homo sapiens	CHEMBL4257004	cell-based format
CHEMBL4293697		IC50	=	1000.0	nM	402.36	Fc1cccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)c1	Homo sapiens	CHEMBL4257004	cell-based format