3D structures mapped by conservation among orthologs

[ Domain: "Calcium ATPase, transduction domain A" // E1-E2_ATPase_N ]

 PyMOL session

[ Domain: "Calcium ATPase transmembrane domain M" // Cation_ATPase_C ]

 PyMOL session

[ Domain: "Metal cation-transporting ATPase, ATP-binding domain" // Cation_ATPase ]

 PyMOL session

[ Domain: "HAD-like" // Hydrolase_3_1 ]

 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
CHEMBL468766		IC50	=	90.0	nM	336.39	C/C(O)=C1\C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O	Homo sapiens	CHEMBL4404229	cell-based format
CHEMBL4216774		Ki	=	27.0	nM	428.61	C/C=C/C/C(C)=C\[C@H]1C/C=C/C=C/C[C@H](C)/C=C(\C)[C@@H](OC)C/C=C/[C@@H](O)CC(=O)O1	Homo sapiens	CHEMBL4404238	single protein format