3D structures mapped by conservation among orthologs

[ Domain: "Protein serine/threonine phosphatase 2C, catalytic domain" // PP2C ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 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
CHEMBL3953067		IC50	=	3.1	nM	260.3	CC(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3916326		IC50	=	4.3	nM	260.3	CCC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3924740		IC50	=	4.4	nM	246.27	CC(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3919781		IC50	=	5.2	nM	274.32	CC(C)(C)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3917140		IC50	=	7.0	nM	258.28	CC(C)COc1ncnc2[nH]cc(C#CC(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3898170		IC50	=	13.0	nM	260.3	CC(C)(C)Oc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3912681		IC50	=	16.0	nM	322.32	NC(=O)/C=C/c1c[nH]c2ncnc(OC3CCC(F)(F)CC3)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3905384		IC50	=	19.0	nM	246.27	CCCOc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3901893		IC50	=	33.0	nM	286.21	NC(=O)/C=C/c1c[nH]c2ncnc(OCC(F)(F)F)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL388978		IC50	=	35.0	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL973464	single protein format
CHEMBL3918925		IC50	=	41.0	nM	274.32	CNC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3969384		IC50	=	51.0	nM	312.3	NC(=O)/C=C/c1c[nH]c2ncnc(OCc3cccc(F)c3)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3895287		IC50	=	75.0	nM	276.3	CC(C)(O)COc1ncnc2[nH]cc(/C=C/C(N)=O)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3919897		IC50	=	97.0	nM	288.35	CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)N(C)C)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3963009		IC50	=	100.0	nM	259.31	CC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3894718		IC50	=	170.0	nM	242.28	CC(C)COc1ncnc2[nH]cc(/C=C\C#N)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3902720		IC50	=	170.0	nM	280.29	NC(=O)/C=C/c1c[nH]c2ncnc(Oc3ccccc3)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3934288		IC50	=	180.0	nM	300.36	CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC3CC3)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3922526		IC50	=	200.0	nM	275.31	COC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12	Homo sapiens	CHEMBL3889256	single protein format
CHEMBL3893882		IC50	=	200.0	nM	273.34	CCC(=O)/C=C/c1c[nH]c2ncnc(OCC(C)C)c12	Homo sapiens	CHEMBL3889256	single protein format