Ligand name: 4-[bis(fluoranyl)-[3-[[(6~{S})-6-methyl-3-(trifluoromethyl)-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]carbonyl]phenyl]methyl]-2~{H}-phthalazin-1-one
PDB ligand accession: 5N8
DrugBank: n/a
PubChem: 118704909
ChEMBL: CHEMBL3740017
InChI Key: SRNBPLVNLYRSLY-LBPRGKRZSA-N
SMILES: CC1Cn2c(nnc2C(F)(F)F)CN1C(=O)c3cccc(c3)C(C4=NNC(=O)c5c4cccc5)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein O95271

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5EBT	Download	Experimental	e5ebtA1 e5ebtB1 e5ebtC1 e5ebtD1	ADP-ribosylation ADP-ribosylation ADP-ribosylation ADP-ribosylation	LigPlot