3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // PI3Ka ]

 PyMOL session

[ Domain: "Ubiquitin-like" // Atg8 ]

 PyMOL session

[ Domain: "Protein kinase" // PI3_PI4_kinase ]

 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
CHEMBL273832		IC50	=	0.5	nM	430.45	COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CC[C@H](O)[C@@]2(C)C[C@H]1OC(C)=O	Homo sapiens	CHEMBL5250361	single protein format
CHEMBL3622372		IC50	=	1.2	nM	443.86	C[C@@H]1COCCN1c1cc(=O)n2c(n1)N(Cc1cncc(Cl)c1)[C@H](C(F)(F)F)CC2	Homo sapiens	CHEMBL3626567	single protein format
CHEMBL5192406		IC50	=	1.7	nM	425.42	NC(=O)c1ccc2c(c1)OCCc1sc(-c3ncnn3-c3ccc(F)cc3F)nc1-2	Homo sapiens	CHEMBL5137990	cell-based format
CHEMBL4517404		IC50	=	2.0	nM	424.42	O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2C[C@@H](O)c1ccccc1	Homo sapiens	CHEMBL4308983	single protein format
CHEMBL1914726		IC50	=	2.9	nM	490.95	O=S(=O)(Nc1cc(-c2ccc3nccc(-c4cccnc4)c3c2)cnc1Cl)c1ccc(F)cc1	Homo sapiens	CHEMBL1919868	single protein format
CHEMBL5192215		IC50	=	3.0	nM	407.84	O=C(Nc1cc2cc(-c3nncn3-c3ccccc3Cl)ccc2cn1)C1CC1F	Homo sapiens	CHEMBL5137990	cell-based format
CHEMBL4536755		IC50	=	3.0	nM	424.42	O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2C[C@H](O)c1ccccc1	Homo sapiens	CHEMBL4308983	single protein format
CHEMBL428496		IC50	=	4.2	nM	428.44	COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O	Homo sapiens	CHEMBL5250361	single protein format
CHEMBL1914743		IC50	=	5.0	nM	499.96	O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCOCC4)nc3c2)cnc1Cl)c1ccc(F)cc1	Homo sapiens	CHEMBL1919868	single protein format
CHEMBL1914727		IC50	=	5.3	nM	490.95	O=S(=O)(Nc1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cnc1Cl)c1ccc(F)cc1	Homo sapiens	CHEMBL1919868	single protein format
CHEMBL4470174		IC50	=	7.0	nM	390.41	CC(C)OCCN1c2nc(N3CCOCC3)cc(=O)n2CC[C@H]1C(F)(F)F	Homo sapiens	CHEMBL4308983	single protein format
CHEMBL4536855		IC50	=	7.0	nM	416.35	O=c1cc(N2CCOCC2)nc2n1CC[C@@H](C(F)(F)F)N2c1cc(F)cc(F)c1	Homo sapiens	CHEMBL4308983	single protein format
CHEMBL5436994		IC50	=	7.6	nM	394.43	O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O	Homo sapiens	CHEMBL5371510	single protein format
CHEMBL1765602		IC50	=	8.58	nM	432.41	Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1	Homo sapiens	CHEMBL1768756	single protein format
CHEMBL1738719		IC50	=	11.0	nM	498.97	O=S(=O)(Nc1cc(-c2ccc3nccc(N4CCOCC4)c3c2)cnc1Cl)c1ccc(F)cc1	Homo sapiens	CHEMBL1919868	single protein format
CHEMBL5183804		IC50	=	13.0	nM	339.4	CC(C)[C@@H]1CNC(=O)c2cc(-c3ccnc(NC(=O)C4CC4)c3)nn21	Homo sapiens	CHEMBL5137990	cell-based format
CHEMBL4745255		IC50	=	14.0	nM	520.65	C[C@H](CN1CCOCC1)Oc1ccc2c(c1)Cc1cccc(-c3cc(=O)cc(N4CCOCC4)o3)c1S2	Homo sapiens	CHEMBL4682233	single protein format
CHEMBL3781466		IC50	=	15.0	nM	391.48	CC(C)(O)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1	Homo sapiens	CHEMBL3784185	single protein format
CHEMBL13513		IC50	=	17.0	nM	370.4	COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)CC1	Homo sapiens	CHEMBL5250361	single protein format
CHEMBL2140173		IC50	=	17.0	nM	547.68	C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1	Homo sapiens	CHEMBL4682233	single protein format