Ligand name: (20R)-10,15,20-trimethyl-2-[(4-methylpiperazin-1-yl)methyl]-18,19,20,21-tetrahydro-15H,17H-12,8-(metheno)pyrazolo[3',4':2,3][1,5,10,12]oxatriazacycloheptadecino[12,11-a]benzimidazol-7(6H)-one
PDB ligand accession: XA4
DrugBank: n/a
PubChem: 139600318
ChEMBL: CHEMBL4537790
InChI Key: AIQBYZOTCIQTGW-HXUWFJFHSA-N
SMILES: Cc1cc2cc(n1)-c3cnn(c3OCCCC(CN4c5cc(ccc5NC4=NC2=O)CN6CCN(CC6)C)C)C
Drug action: n/a

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7KY0	Download	Experimental	e7ky0D1 e7ky0A1 e7ky0D1 e7ky0B1 e7ky0A1 e7ky0B1 e7ky0C1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
7KXZ	Download	Experimental	e7kxzA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot