3D structures mapped by conservation among orthologs

[ Domain: "Proteasome subunits" // Proteasome ]

 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
CHEMBL4297468		IC50	=	0.039	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	CHEMBL4403376	single protein format
CHEMBL4784875		IC50	=	0.4	nM	566.72	Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2cccc3ccccc23)cc1	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL4751044		IC50	=	0.4	nM	569.63	COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)c1cc(C)on1)C(=O)NCc1ccc(F)c2ccccc12	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL4796570		IC50	=	1.2	nM	539.61	Cc1cc(C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)no1	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL4749207		IC50	=	1.3	nM	412.3	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O	Homo sapiens	CHEMBL4682120	single protein format
CHEMBL4764897		IC50	=	1.5	nM	544.7	C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL4758484		IC50	=	1.6	nM	562.69	C[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1ccc(F)c2ccccc12	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL5188533		IC50	=	1.7	nM	446.32	CCc1cccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cnccn2)B(O)O)c1	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5192498		IC50	=	1.8	nM	359.62	O=C(Cc1ccccc1)N[C@@H](C[C@@H]1COc2c(Cl)cccc21)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5174892		IC50	=	1.9	nM	325.13	O=C(Cc1cnccn1)N[C@@H](Cc1coc2ccccc12)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5191857		IC50	=	1.9	nM	291.11	COCCC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5175217		IC50	=	2.1	nM	323.16	O=C(Cc1ccccc1)N[C@@H](Cc1coc2ccccc12)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5185591		IC50	=	2.2	nM	353.18	COc1cccc2c(C[C@H](NC(=O)Cc3ccccc3)B(O)O)coc12	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5190088		IC50	=	2.3	nM	325.13	O=C(Cc1ncccn1)N[C@@H](Cc1coc2ccccc12)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL5170541		IC50	=	2.3	nM	324.15	O=C(Cc1cccnc1)N[C@@H](Cc1coc2ccccc12)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL4784015		IC50	=	2.3	nM	574.72	COC[C@H](NC(=O)[C@H](CCC(=O)NC(C)(C)C)NC(=O)CCc1ccccc1)C(=O)NCc1cccc2ccccc12	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL4763116		IC50	=	2.4	nM	584.71	Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N[C@@H](C)C(=O)NCc2ccc(F)c3ccccc23)cc1	Homo sapiens	CHEMBL4704260	single protein format
CHEMBL5171825		IC50	=	2.9	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	CHEMBL5151699	single protein format
CHEMBL5203216		IC50	=	2.9	nM	384.63	N#Cc1ccccc1CC(=O)N[C@@H](C[C@@H]1COc2c(Cl)cccc21)B(O)O	Homo sapiens	CHEMBL5151699	single protein format
CHEMBL270515		IC50	=	3.0	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	CHEMBL4403376	single protein format