3D structures mapped by conservation among orthologs

[ Domain: "Proteasome subunits" // Proteasome ]

 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
CHEMBL4297468		IC50	=	0.131	nM	586.69	COc1ccc([C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2=CCCC2)C(=O)[C@@]2(C)CO2)cc1	Homo sapiens	CHEMBL4403374	single protein format
CHEMBL270515		IC50	=	10.0	nM	413.28	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)[C@@H](C)O)B(O)O	Homo sapiens	CHEMBL4403374	single protein format
CHEMBL4128074		IC50	=	210.0	nM	599.77	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CS(=O)(=O)F	Homo sapiens	CHEMBL4123724	single protein format
CHEMBL4127967		IC50	=	300.0	nM	571.76	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCCN)CS(=O)(=O)F	Homo sapiens	CHEMBL4123724	single protein format
CHEMBL4749207		IC50	=	300.0	nM	412.3	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O	Homo sapiens	CHEMBL4682119	single protein format
CHEMBL3319481		IC50	=	410.0	nM	586.73	COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(=O)[C@@]2(C)CO2)cc1	Homo sapiens	CHEMBL3371276	cell-based format
CHEMBL3237875		IC50	=	590.0	nM	580.68	COc1ccc(C[C@H](NC(=O)[C@H](C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[C@@]2(C)CO2)cc1	Homo sapiens	CHEMBL3371276	cell-based format
CHEMBL325041		IC50	=	940.0	nM	384.25	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	Homo sapiens	CHEMBL4403374	single protein format