Ligand name: 1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methyl-1H-indole-4-carboxamide
PDB ligand accession: JDP
DrugBank: DB16874
PubChem: 73051434
ChEMBL: CHEMBL3747513
InChI Key: RDALZZCKQFLGJP-UHFFFAOYSA-N
SMILES: Cc1cc2c(cccc2n1c3nc4c(c(n3)NCc5ccccc5)COCC4)C(=O)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P55072

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7RLJ	Download	Experimental	e7rljA4 e7rljA5 e7rljB1 e7rljB6 e7rljC2 e7rljC4 e7rljD2 e7rljD3 e7rljE2 e7rljE6 e7rljF4 e7rljF6 e7rljL1 e7rljL3 e7rljG1 e7rljG2 e7rljH1 e7rljH5 e7rljI1 e7rljI3 e7rljJ1 e7rljJ3 e7rljK2 e7rljK6	Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like	LigPlot
6MCK	Download	Experimental	e6mckA1 e6mckA4 e6mckB3 e6mckB4 e6mckC2 e6mckC4 e6mckD1 e6mckD2 e6mckE2 e6mckE4 e6mckF1 e6mckF3 e6mckG1 e6mckG3 e6mckH1 e6mckH4 e6mckI2 e6mckI3 e6mckJ3 e6mckJ4 e6mckK2 e6mckK3 e6mckL1 e6mckL4	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
7RLI	Download	Experimental	e7rliA2 e7rliA6 e7rliB2 e7rliB5 e7rliC4 e7rliC5 e7rliD5 e7rliD6 e7rliE1 e7rliE3 e7rliF1 e7rliF5 e7rliG1 e7rliG5 e7rliH3 e7rliH6 e7rliI2 e7rliI5 e7rliJ1 e7rliJ5 e7rliK1 e7rliK4 e7rliL2 e7rliL5	P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like Histone-like	LigPlot