Ligand name: (1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclobutane-1-carboxamide
PDB ligand accession: LQK
DrugBank: n/a
PubChem: 146048119
ChEMBL: CHEMBL4648717
InChI Key: XWMQKSXJPOIISN-IOMROCGXSA-N
SMILES: c1ccc2c(c1)C(=O)N(C2=O)CC3c4cccc(c4CCN3C(=O)C5CCC5C(=O)N)OCCO
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 Q14145

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6SP4	Download	Experimental	e6sp4A1 e6sp4B1 e6sp4A1 e6sp4C1 e6sp4D1 e6sp4C1 e6sp4D1 e6sp4E1 e6sp4E1 e6sp4F1	beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like beta-propeller-like	LigPlot