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	=	0.623	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	CHEMBL4403372	single protein format
CHEMBL270515		IC50	=	1.0	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	CHEMBL4403372	single protein format
CHEMBL5171825		IC50	=	2.7	nM	553.16	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O	Homo sapiens	CHEMBL5151697	single protein format
CHEMBL4749207		IC50	=	5.0	nM	412.3	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O	Homo sapiens	CHEMBL4682118	single protein format
CHEMBL325041		IC50	=	5.5	nM	384.25	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	Homo sapiens	CHEMBL4403372	single protein format
CHEMBL4749043		IC50	=	8.0	nM	375.23	CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)B(O)O	Homo sapiens	CHEMBL4682118	single protein format
CHEMBL5188533		IC50	=	11.0	nM	446.32	CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1	Homo sapiens	CHEMBL5151697	single protein format
CHEMBL4781914		IC50	=	13.0	nM	341.22	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)B(O)O	Homo sapiens	CHEMBL4682118	single protein format
CHEMBL4632784		IC50	=	21.66	nM	590.72	CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4605209	single protein format
CHEMBL3319599		IC50	=	22.0	nM	553.64	CCCC[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL3371274	cell-based format
CHEMBL4640135		IC50	=	29.72	nM	564.68	CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4605209	single protein format
CHEMBL4645467		IC50	=	33.55	nM	564.68	CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4605209	single protein format
CHEMBL3319600		IC50	=	34.0	nM	571.63	CCCC[C@H](NC(=O)[C@@H]1CC(F)(F)CN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL3371274	cell-based format
CHEMBL4447840		IC50	=	36.0	nM	370.49	CCCCCCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO)CO1	Homo sapiens	CHEMBL4394491	single protein format
CHEMBL4100295		IC50	=	51.0	nM	413.43	C[C@]1(C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)c2cccc(=O)[nH]2)CO1	Homo sapiens	CHEMBL3997510	assay format
CHEMBL4635741		IC50	=	57.96	nM	528.65	CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4605209	single protein format
CHEMBL4870740		IC50	=	65.6	nM	522.64	CC(C)C[C@H](NC(=O)[C@@H]1COCCCCCCC(=O)NCC(=O)N2CCC[C@H]2C(=O)N1)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4829376	single protein format
CHEMBL3319601		IC50	=	66.0	nM	569.66	CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL3371274	cell-based format
CHEMBL3319597		IC50	=	67.0	nM	549.67	CCCC[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL3371274	cell-based format
CHEMBL3319595		IC50	=	68.0	nM	553.69	CCCC[C@H](NC(=O)[C@@H]1CSCN1C(=O)[C@H](C)NC(=O)CN=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL3371274	cell-based format