Ligand name: (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one
PDB ligand accession: R6W
DrugBank: n/a
PubChem: 154815691
ChEMBL: n/a
InChI Key: LWNXLGGZVHNJBW-UWXQCODUSA-N
SMILES: c1ccc2c(c1)c(c([nH]2)CNCCCCCCNCc3c(c4ccccc4[nH]3)C5c6cc(ccc6C(=O)N5)O)C7c8cc(ccc8C(=O)N7)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Isoindoles and derivatives
      • Subclass: Isoindolines

List of PDB structures and/or AlphaFold models with target protein P01116

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7ACH	Download	Experimental	e7achA1 e7achB1	P-loop domains-like P-loop domains-like	LigPlot
7ACQ	Download	Experimental	e7acqA1 e7acqB1 e7acqC1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
7ACA	Download	Experimental	e7acaA1 e7acaC1 e7acaD1 e7acaB1 e7acaC1 e7acaD1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot
7ACF	Download	Experimental	e7acfA1 e7acfD1 e7acfB1 e7acfC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot