3D structures mapped by conservation among orthologs

[ Domain: "Ubiquitin-like" // PB1 ]

 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
CHEMBL2381342		IC50	=	1.5	nM	440.55	CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)N(C)C)ccc32)c2ccccc2)c1	Homo sapiens	CHEMBL4365541	assay format
CHEMBL4303171		IC50	=	4.3	nM	412.49	CN(C)Cc1cccc(N/C(=C2\C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1	Homo sapiens	CHEMBL4725971	single protein format
CHEMBL4635883		IC50	=	25.0	nM	397.53	CC(C)c1cc(Nc2nc(N3CCC[C@H](N)C3)ncc2C(N)=O)cc(C(C)C)n1	Homo sapiens	CHEMBL4629880	single protein format
CHEMBL388978		IC50	=	40.4	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328490	single protein format
CHEMBL1835063		IC50	=	240.0	nM	380.37	NC(=O)c1cnc(N2CCC[C@H](N)C2)nc1Nc1cccc(C(F)(F)F)c1	Homo sapiens	CHEMBL4629880	single protein format
CHEMBL3577124		IC50	=	800.0	nM	424.52	CNc1ncc2cc(-c3cc(NC(=O)NCCC(C)(C)C)c(F)cc3C)c(C)nc2n1	Homo sapiens	CHEMBL3578903	cell-based format
CHEMBL4537673		IC50	=	847.0	nM	553.59	C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1	Homo sapiens	CHEMBL5213271	single protein format
CHEMBL2348417		IC50	=	870.0	nM	508.0	O=C(NCCO)C1=Cc2c(ncnc2Nc2ccc(Oc3cccc4sccc34)c(Cl)c2)NCC1	Homo sapiens	CHEMBL2351309	assay format