3D structures mapped by conservation among orthologs

[ Domain: "Arginine methyltransferase oligomerization subdomain" // PRMT5_C ]

 PyMOL session

[ Domain: "TIM barrels" // PRMT5_TIM ]

 PyMOL session

[ Domain: "S-adenosyl-L-methionine-dependent methyltransferases" // PRMT5 ]

 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
CHEMBL4785053		IC50	=	-7000.0	nM	363.42	NCC[C@H]1CCCN1C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	Homo sapiens	CHEMBL4731562	cell-based format
CHEMBL5203719		IC50	=	0.13	nM	483.37	Nc1nc2cc(CC[C@@H]3C[C@H](n4ccc5c(N)ncnc54)[C@@H](O)[C@H]3O)ccc2cc1Br	Homo sapiens	CHEMBL5138249	single protein format
CHEMBL4541714		IC50	=	0.16	nM	404.47	Nc1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1	Homo sapiens	CHEMBL4392562	cell-based format
CHEMBL4543007		IC50	=	0.4	nM	458.57	Nc1ncnc2c1ccn2[C@@H]1C[C@H](CCc2ccc3ccc(NCC4CC4)nc3c2)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392562	cell-based format
CHEMBL5187591		IC50	=	0.4	nM	368.44	Nc1cccc(CCC[C@@H]2C[C@H](n3ccc4c(N)ncnc43)[C@@H](O)[C@H]2O)n1	Homo sapiens	CHEMBL5138249	single protein format
CHEMBL5422317		IC50	=	0.8	nM	487.64	CC1(C)CN(C[C@@H](O)[C@@H]2Cc3ccccc3CN2)C(=O)c2ccc(C(=O)N3CCC4(CC3)CC4)cc21	Homo sapiens	CHEMBL5350361	cell-based format
CHEMBL4547524		IC50	=	1.0	nM	430.46	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(C(F)F)cc3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4517481		IC50	=	1.0	nM	396.45	Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2cccc3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4585734		IC50	=	1.0	nM	380.45	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cccc3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4445368		IC50	=	1.0	nM	459.34	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(Br)cc3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4541232		IC50	=	1.0	nM	405.46	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(C#N)cc3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL5172637		IC50	=	1.0	nM	388.43	Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)coc3=O)cc2nc1N	Homo sapiens	CHEMBL5130634	cell-based format
CHEMBL4563402		IC50	=	1.0	nM	448.45	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4470815		IC50	=	1.0	nM	464.44	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(OC(F)F)c(F)c3c2CNCC3)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4455651		IC50	=	1.0	nM	462.47	Cc1ncnc2c1ccn2[C@@H]1C[C@H](Oc2cc(C(F)F)c(F)c3c2CNCC3C)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL4441584		IC50	=	1.0	nM	394.79	Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc(Cl)c(F)c2)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL4327367	single protein format
CHEMBL4448266		IC50	=	1.0	nM	428.46	COc1cc(O[C@H]2C[C@@H](n3ccc4c(C)ncnc43)[C@H](O)[C@@H]2O)c2c(c1F)CCNC2	Homo sapiens	CHEMBL4392554	single protein format
CHEMBL5431398		IC50	=	1.2	nM	402.84	Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@@H]2OCCc3cc(Cl)ccc32)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL5350331	cell-based format
CHEMBL4579773		IC50	=	1.26	nM	392.46	Cc1cnc2cc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)ccn12	Homo sapiens	CHEMBL4392562	cell-based format
CHEMBL5172447		IC50	=	2.0	nM	401.47	Cc1cc2ccc(Cn3c(C(=O)N(C)c4ccccc4)cn(C)c3=O)cc2nc1N	Homo sapiens	CHEMBL5130634	cell-based format