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
CHEMBL5283576		IC50	=	8.0	nM	299.75	O=C1NC2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@H]2[C@H]1CCCl	Homo sapiens	CHEMBL5223568	single protein format
CHEMBL210439		IC50	=	20.0	nM	546.67	CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C	Homo sapiens	CHEMBL869329	single protein format
CHEMBL371405		IC50	=	28.0	nM	313.78	C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCCl	Homo sapiens	CHEMBL2184803	single protein format
CHEMBL4297468		IC50	=	28.0	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	CHEMBL4403373	single protein format
CHEMBL2141296		IC50	=	30.0	nM	361.03	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O	Homo sapiens	CHEMBL4403373	single protein format
CHEMBL208162		IC50	=	32.0	nM	594.71	CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1C	Homo sapiens	CHEMBL869329	single protein format
CHEMBL207774		IC50	=	42.0	nM	559.71	CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C	Homo sapiens	CHEMBL869329	single protein format
CHEMBL64925		IC50	=	52.0	nM	475.63	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	Homo sapiens	CHEMBL3804706	single protein format
CHEMBL210091		IC50	=	83.0	nM	575.71	CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C	Homo sapiens	CHEMBL869329	single protein format
CHEMBL5198837		IC50	=	100.5	nM	418.25	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)B(O)O	Homo sapiens	CHEMBL5119467	single protein format
CHEMBL4075225		IC50	=	150.0	nM	461.37	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc2ccccc2c1)B(O)O	Homo sapiens	CHEMBL4042188	cell-based format
CHEMBL207990		IC50	=	160.0	nM	554.73	CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)[C@@H](C)O	Homo sapiens	CHEMBL861974	single protein format
CHEMBL4068221		IC50	=	190.0	nM	425.34	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O	Homo sapiens	CHEMBL4042188	cell-based format
CHEMBL4076838		IC50	=	190.0	nM	456.31	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1)B(O)O	Homo sapiens	CHEMBL4042188	cell-based format
CHEMBL2326539		IC50	=	200.0	nM	574.7	Cc1c(O)cccc1C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](/C=C/S(C)(=O)=O)Cc1ccc(CN)cc1)C(C)C	Homo sapiens	CHEMBL2327093	cell-based format
CHEMBL3099640		IC50	=	200.0	nM	518.79	c1cc(C2(c3ccc(OCCN4CCCCCC4)cc3)CCCCC2)ccc1OCCN1CCCCCC1	Homo sapiens	CHEMBL3100303	single protein format
CHEMBL4128074		IC50	=	250.0	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	CHEMBL4123721	single protein format
CHEMBL4282642		IC50	=	261.0	nM	418.49	CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)NCC(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C	Homo sapiens	CHEMBL4275390	assay format
CHEMBL3099622		IC50	=	280.0	nM	580.86	CCCC(=C(c1ccc(OCCN2CCCCCC2)cc1)c1ccc(OCCN2CCCCCC2)cc1)c1ccccc1	Homo sapiens	CHEMBL3100303	single protein format
CHEMBL4077037		IC50	=	340.0	nM	439.37	Cc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c1C	Homo sapiens	CHEMBL4042188	cell-based format