3D structures mapped by conservation among orthologs

[ Domain: "Leucine-rich repeats" // LRR_8_3 ]

 PyMOL session

[ Domain: "Leucine-rich repeats" // LRR_8_1 ]

 PyMOL session

[ Domain: "Leucine-rich repeats" // LRR_8 ]

 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
CHEMBL426184		IC50	=	3.2	nM	361.82	CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl	Homo sapiens	CHEMBL990604	single protein format
CHEMBL5174883		IC50	=	25.4	nM	228.24	COC(=O)C1=CO[C@@H](O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	Homo sapiens	CHEMBL5128316	cell-based format
CHEMBL224199		IC50	=	110.0	nM	347.8	CCOC(=O)C1=CCCC1S(=O)(=O)Nc1ccc(F)cc1Cl	Homo sapiens	CHEMBL990604	single protein format
CHEMBL224563		IC50	=	160.0	nM	361.82	CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1F	Homo sapiens	CHEMBL990604	single protein format
CHEMBL375048		IC50	=	240.0	nM	375.85	CCOC(=O)C1=CCCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl	Homo sapiens	CHEMBL990604	single protein format
CHEMBL4643502		IC50	=	250.0	nM	336.44	Cc1cc(-c2cc(C)c3nn(C4CCNCC4)cc3c2)cn(C)c1=O	Homo sapiens	CHEMBL4622223	cell-based format
CHEMBL5186900		IC50	=	280.0	nM	226.24	O=[N+]([O-])/C=C/c1cccc(-c2ccccn2)c1	Homo sapiens	CHEMBL5108192	cell-based format
CHEMBL4450337		IC50	=	334.0	nM	399.87	C#CCN(c1ccc(F)cc1Cl)S(=O)(=O)C1CCCC=C1C(=O)OCC	Homo sapiens	CHEMBL4376793	cell-based format
CHEMBL5422246		IC50	=	430.0	nM	198.22	CC(=O)CC(=O)C1CC(O)CCC1=O	Homo sapiens	CHEMBL5358091	single protein format
CHEMBL5202822		IC50	=	460.0	nM	241.25	O=[N+]([O-])/C=C/c1cccc(Nc2ccccn2)c1	Homo sapiens	CHEMBL5108192	cell-based format
CHEMBL4228510		IC50	=	540.0	nM	312.32	COc1ccc(C/C(=N\O)c2nc3ccc(OC)cc3o2)cc1	Homo sapiens	CHEMBL4221124	cell-based format
CHEMBL4875156		IC50	=	560.0	nM	313.35	O=C1C=C2CC[C@@H](NC(=O)OCc3ccccc3)CC2C(=O)C1	Homo sapiens	CHEMBL4827931	single protein format
CHEMBL225157		IC50	=	680.0	nM	361.82	CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl	Homo sapiens	CHEMBL4221124	cell-based format
CHEMBL4863840		IC50	=	730.0	nM	288.43	CCCC1CCC([C@@H]2CCC3=CC(=O)CC(=O)C3C2)CC1	Homo sapiens	CHEMBL4827931	single protein format
CHEMBL5179649		IC50	=	1000.0	nM	242.23	O=[N+]([O-])/C=C/c1cccc(Oc2ccccn2)c1	Homo sapiens	CHEMBL5108192	cell-based format