3D structures mapped by conservation among orthologs

[ Domain: "Ubiquitin-like" // UNK_F_TYPE ]

 PyMOL session

[ Domain: "Cysteine proteinases" // UCH ]

 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
CHEMBL5077948		IC50	=	1.0	nM	552.02	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)c(F)c(OC)c1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5081547		IC50	=	1.0	nM	531.61	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(F)cc1OC	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5084457		IC50	=	1.0	nM	531.61	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(C)c(OC)cc1F	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5081719		IC50	=	1.0	nM	548.06	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)c(C)cc1OC	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5071913		IC50	=	1.0	nM	499.59	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc(OC)c1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5076148		IC50	=	1.0	nM	497.62	CCc1cccc(C(CNC)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)c1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5072768		IC50	=	1.0	nM	538.45	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)cc(Cl)c1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5077098		IC50	=	1.0	nM	534.03	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cc(Cl)cc(OC)c1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5072962		IC50	=	1.0	nM	520.61	CNCC(C(=O)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2)c1cccc2cccnc12	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5089843		IC50	=	1.0	nM	517.61	O=S(=O)(c1ccc(-c2ncco2)cc1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1	Homo sapiens	CHEMBL5051595	single protein format
CHEMBL5089941		IC50	=	1.0	nM	531.64	CN1CCN(c2cccc(C(O)c3cc4c(cn3)CN(S(=O)(=O)c3ccc(-c5ncco5)cc3)C4)c2)CC1	Homo sapiens	CHEMBL5051595	single protein format
CHEMBL5081035		IC50	=	1.0	nM	526.62	O=C(C(O)c1cccc(N2CCNCC2)c1)N1CC2=C(C1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5080036		IC50	=	1.0	nM	522.63	CN1CCN(c2cccc(C(O)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5ccoc5c3)C4)c2)CC1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5074846		IC50	=	1.0	nM	584.67	CN1CC2CN(c3cccc(C(O)C(=O)N4CC5=C(C4)CN(S(=O)(=O)c4ccc6c(c4)OCCO6)C5)c3)CC2(F)C1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5069484		IC50	=	1.0	nM	501.55	[2H]C1([2H])Oc2ccc(S(=O)(=O)N3CC4=C(CN(C(=O)C(O)c5cccc6oc(C)nc56)C4)C3)cc2OC1([2H])[2H]	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5074008		IC50	=	1.0	nM	566.71	Cc1nc2c(C(CN3CCC3)C(=O)N3CC4=C(C3)CN(S(=O)(=O)c3ccc5c(c3)OCCO5)C4)cccc2s1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5086674		IC50	=	1.0	nM	511.6	CN1CCc2c(cccc2C(O)C(=O)N2CC3=C(C2)CN(S(=O)(=O)c2ccc4c(c2)OCCO4)C3)C1	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5077523		IC50	=	1.0	nM	538.65	CNCC(C(=O)N1Cc2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)cc2C1)c1cccc2sc(C)nc12	Homo sapiens	CHEMBL5053192	single protein format
CHEMBL5086426		IC50	=	1.0	nM	550.62	CN1CCN(c2cccc(C(O)c3ncc4c(n3)CN(S(=O)(=O)c3ccc(-c5ncco5)c(F)c3)C4)c2)CC1	Homo sapiens	CHEMBL5051595	single protein format
CHEMBL5071051		IC50	=	1.0	nM	545.67	Cc1ccc(C(O)c2cc3c(cn2)CN(S(=O)(=O)c2ccc(-c4ncco4)cc2)C3)cc1N1CCN(C)CC1	Homo sapiens	CHEMBL5051595	single protein format