3D structures mapped by conservation among orthologs

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

 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
CHEMBL48449		IC50	=	430.0	nM	196.2	C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1	Homo sapiens	CHEMBL767321	tissue-based format
CHEMBL1237212		IC50	=	570.0	nM	168.15	O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CC[C@H]2O1	Homo sapiens	CHEMBL767321	tissue-based format
CHEMBL318253		IC50	=	1000.0	nM	444.57	CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(=O)O	Homo sapiens	CHEMBL767318	single protein format
CHEMBL5188453		Ki	=	520.0	nM	321.33	Nc1cc(-c2ccc(-c3ccc(O)c(O)c3)cc2)ccc1C(=O)O	Homo sapiens	CHEMBL5106026	assay format