Ligand name: 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol
PDB ligand accession: FZZ
DrugBank: n/a
PubChem: 91801164
ChEMBL: n/a
InChI Key: VYQCRFJWAWALRP-IYOUNJFTSA-N
SMILES: Cc1cc2c3c(c1C)C(CC3=NC4=C(N2CC(C(C(COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein A2QHE5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4ZA7	Download	Experimental	e4za7A1 e4za7A3	Alpha-lytic protease prodomain-like cradle loop barrel	LigPlot
6EV6	Download	Experimental	e6ev6A1 e6ev6A3	cradle loop barrel Alpha-lytic protease prodomain-like	LigPlot
4ZA5	Download	Experimental	e4za5A1 e4za5A2	cradle loop barrel Alpha-lytic protease prodomain-like	LigPlot
4ZAA	Download	Experimental	e4zaaA1 e4zaaA2	Alpha-lytic protease prodomain-like cradle loop barrel	LigPlot
6EV3	Download	Experimental	e6ev3A1 e6ev3A2	Alpha-lytic protease prodomain-like cradle loop barrel	LigPlot
4ZA8	Download	Experimental	e4za8A2 e4za8A3	cradle loop barrel Alpha-lytic protease prodomain-like	LigPlot
4ZAB	Download	Experimental	e4zabA1 e4zabA2	Alpha-lytic protease prodomain-like cradle loop barrel	LigPlot