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
CHEMBL1813256		IC50	=	10.64	nM	517.13	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(=O)O)(C(=O)O)O1	Homo sapiens	CHEMBL4233072	single protein format
CHEMBL4248209		IC50	=	12.98	nM	474.19	COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B1OCCNCCO1	Homo sapiens	CHEMBL4233072	single protein format
CHEMBL4089402		IC50	=	20.0	nM	437.35	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL4068221		IC50	=	30.0	nM	425.34	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL2141296		IC50	=	31.0	nM	361.03	CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O	Homo sapiens	CHEMBL2184802	single protein format
CHEMBL270515		IC50	=	31.0	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	CHEMBL4403371	single protein format
CHEMBL5283576		IC50	=	32.7	nM	299.75	O=C1NC2([C@@H](O)[C@@H]3C=CCCC3)C(=O)O[C@H]2[C@H]1CCCl	Homo sapiens	CHEMBL5223566	single protein format
CHEMBL4749207		IC50	=	52.0	nM	412.3	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(O)cc1)B(O)O	Homo sapiens	CHEMBL4682115	single protein format
CHEMBL325041		IC50	=	53.0	nM	384.25	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O	Homo sapiens	CHEMBL2184802	single protein format
CHEMBL4080306		IC50	=	70.0	nM	425.34	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H](C)c1ccccc1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL4096371		IC50	=	80.0	nM	401.27	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccco1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL4100727		IC50	=	110.0	nM	447.29	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(F)c(F)c1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL5198837		IC50	=	113.6	nM	418.25	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1c(F)cccc1F)B(O)O	Homo sapiens	CHEMBL5119468	single protein format
CHEMBL4075225		IC50	=	120.0	nM	461.37	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc2ccccc2c1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL4077037		IC50	=	130.0	nM	439.37	Cc1cccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c1C	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL4076838		IC50	=	140.0	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	CHEMBL4042189	cell-based format
CHEMBL4646371		IC50	=	206.7	nM	514.62	CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1	Homo sapiens	CHEMBL4605212	single protein format
CHEMBL4070336		IC50	=	240.0	nM	487.41	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(-c2ccccc2)c1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format
CHEMBL289277		IC50	=	240.0	nM	270.24	Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	Homo sapiens	CHEMBL4433377	single protein format
CHEMBL4077282		IC50	=	240.0	nM	425.34	CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1)B(O)O	Homo sapiens	CHEMBL4042189	cell-based format