3D structures mapped by conservation among orthologs

[ Domain: "ARM repeat" // TPR_11_3 ]

 PyMOL session

[ Domain: "Metallo-dependent phosphatases" // Metallophos_2_1 ]

 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
CHEMBL48449		IC50	=	600.0	nM	196.2	C[C@@]12C(=O)OC(=O)[C@]1(C)[C@H]1CC[C@@H]2O1	Homo sapiens	CHEMBL5227876	single protein format
CHEMBL5405890		IC50	=	700.0	nM	258.27	CCCCO[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O	Homo sapiens	CHEMBL5326482	single protein format
CHEMBL5421006		IC50	=	1000.0	nM	200.19	C[C@H]1C[C@@H]2O[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)O	Homo sapiens	CHEMBL5326482	single protein format
CHEMBL298246		IC50	=	1000.0	nM	168.15	O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1CC[C@H]2O1	Homo sapiens	CHEMBL5326482	single protein format