3D structures mapped by conservation among orthologs

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

 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
CHEMBL5399590		IC50	=	0.1	nM	337.42	COc1ccc2c(-c3ccc(OCCCCO)c(C)c3)ccnc2c1	Homo sapiens	CHEMBL5342197	single protein format
CHEMBL4870936		IC50	<	0.3	nM	441.56	[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(OC6CCNCC6)ccc5[C@H]4C3)ccc(C#N)c2n1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL4850118		IC50	<	0.3	nM	440.57	[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6CC[C@](C)(N)C6)ccc5[C@H]4C3)ccc(C#N)c2n1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL4849957		IC50	<	0.3	nM	438.56	[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6C[C@H]7C[C@@H]6CN7)ccc5[C@H]4C3)ccc(C#N)c2n1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL4878670		IC50	=	0.4	nM	438.56	[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6C[C@@H]7C[C@H]6CN7)ccc5[C@H]4C3)ccc(C#N)c2n1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL4790706		IC50	=	0.5	nM	265.31	COc1ccc2c(-c3ccc(O)c(C)c3)ccnc2c1	Homo sapiens	CHEMBL4687762	tissue-based format
CHEMBL5176610		IC50	=	0.7	nM	251.29	Cc1cc(-c2ccnc3cc(O)ccc23)ccc1O	Homo sapiens	CHEMBL5097694	cell-based format
CHEMBL5274101		IC50	=	0.7	nM	250.3	Cc1cc(-c2cccc3cc(O)ccc23)ccc1O	Homo sapiens	CHEMBL5234252	single protein format
CHEMBL4850085		IC50	=	0.7	nM	452.58	[2H]c1ccc2c(N3C[C@@H](C)N4Cc5nc(N6CCC7(CNC7)C6)ccc5[C@H]4C3)ccc(C#N)c2n1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL4849186		IC50	=	0.8	nM	425.54	COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3c(C)c2C)cn2ncnc12	Homo sapiens	CHEMBL4828015	cell-based format
CHEMBL5397107		IC50	=	0.8	nM	356.43	COc1ccc2c(-c3cnc(OCc4ccccc4)c(C)c3)ccnc2c1	Homo sapiens	CHEMBL5342197	single protein format
CHEMBL4799678		IC50	=	1.0	nM	439.57	C[C@@H]1CN(c2ccc(C#N)c3ncccc23)C[C@@H]2CN(c3cncc4c3CCNC4)CCN21	Homo sapiens	CHEMBL4679472	cell-based format
CHEMBL5178588		IC50	=	1.0	nM	347.51	Cc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)c(C)cn1	Homo sapiens	CHEMBL5135991	cell-based format
CHEMBL4740968		IC50	<	1.0	nM	364.45	Cc1cc(-c2ccnc3[nH]ncc23)cnc1OCC12CCC(O)(CC1)CC2	Homo sapiens	CHEMBL4727488	cell-based format
CHEMBL4790219		IC50	=	1.0	nM	393.5	Cc1cc(-c2nn(C)c3nc(N)ncc23)cnc1OCC12CCC(N)(CC1)CC2	Homo sapiens	CHEMBL4727488	cell-based format
CHEMBL5413646		IC50	=	1.0	nM	269.73	Cc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O	Homo sapiens	CHEMBL5342197	single protein format
CHEMBL4872385		IC50	=	1.4	nM	411.51	COc1cc(-c2cc3[nH]c4ccc(C5CCNCC5)cc4c3cc2C)cn2ncnc12	Homo sapiens	CHEMBL4828015	cell-based format
CHEMBL4641633		IC50	=	1.5	nM	420.41	O=c1ccc(-c2cc(C(F)(F)F)c3nn([C@H]4CCNC[C@@H]4F)cc3c2)c2n1CCC2	Homo sapiens	CHEMBL4622225	cell-based format
CHEMBL4863896		IC50	=	1.9	nM	439.57	CC1(N)CCN(c2ccc3c(n2)CN2CCN(c4ccc(C#N)c5ncccc45)C[C@@H]32)CC1	Homo sapiens	CHEMBL4836653	cell-based format
CHEMBL5080083		IC50	=	2.0	nM	224.26	COc1cc2cc[nH]c2cc1-c1ccncc1	Homo sapiens	CHEMBL5050587	assay format