3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "F-box domain" // F-box-like_1 ]

 PyMOL session

[ Domain: "C-terminal helical domain in Jumonji domain-containing histone demethylases" // KOG1633_1 ]

 PyMOL session

[ Domain: "CXXC domain" // zf-CXXC ]

 PyMOL session

[ Domain: "FYVE/PHD zinc finger" // PHD ]

 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
CHEMBL5173876		IC50	=	63.0	nM	325.32	O=C(O)/C=C/C(=O)NNC(=O)c1cnccc1Cc1ccccc1	Homo sapiens	CHEMBL5216109	single protein format
CHEMBL4288093		IC50	=	100.0	nM	364.38	CCOc1cc(-c2c(-c3cc(-c4c[nH]nn4)ccn3)ncn2C)ccc1F	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4294926		IC50	=	100.0	nM	336.79	Clc1ccccc1Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4283409		IC50	=	100.0	nM	296.72	Clc1cccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4292860		IC50	<=	100.0	nM	310.75	Clc1cccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4281332		IC50	<=	100.0	nM	310.75	Clc1ccccc1Cn1cnc(-c2cc3[nH]nnc3cn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4286675		IC50	<=	100.0	nM	276.3	c1ccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)cc1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4282591		IC50	<=	100.0	nM	366.43	c1ccc2c(CCn3cnc(-c4cc(-c5c[nH]nn5)ccn4)c3)cccc2c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4287550		IC50	<=	100.0	nM	404.78	FC(F)(F)c1cccc(Cn2cnc(-c3cc(-c4c[nH]nn4)ccn3)c2)c1Cl	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4288588		IC50	<=	100.0	nM	371.23	Clc1cccc(Cn2cnc(-c3cc(-c4c[nH]nn4)ccn3)c2)c1Cl	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4294188		IC50	<=	100.0	nM	360.42	CCOc1ccccc1CCn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4280770		IC50	<=	100.0	nM	356.43	c1ccc2c(c1)CCCC2Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4279714		IC50	<=	100.0	nM	346.39	COc1ccccc1CCn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4284883		IC50	<=	100.0	nM	350.81	Clc1ccccc1CCn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4283877		IC50	<=	100.0	nM	316.37	CC(c1ccccc1)n1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4280474		IC50	<=	100.0	nM	390.42	Cn1cnc(-c2cc(-c3c[nH]nn3)ccn2)c1-c1ccc(F)cc1OCC1CC1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4279899		IC50	<=	100.0	nM	310.75	Clc1ccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)cc1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4280949		IC50	<=	100.0	nM	345.19	Clc1ccc(Cn2cnc(-c3cc4[nH]nnc4cn3)c2)cc1Cl	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4278748		IC50	<=	100.0	nM	296.72	Clc1ccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)cc1	Homo sapiens	CHEMBL4256999	cell-based format
CHEMBL4279782		IC50	<=	100.0	nM	296.72	Clc1ccccc1-n1cnc(-c2cc3[nH]nnc3cn2)c1	Homo sapiens	CHEMBL4256999	cell-based format