Ligand name: 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide
PDB ligand accession: LUI
DrugBank: n/a
PubChem: 10271081
ChEMBL: CHEMBL1851820
InChI Key: GODOFGUHKFCHSR-UHFFFAOYSA-N
SMILES: CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3ccccc3)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OPM	Download	Experimental	e3opmA1 e3opmA2 e3opmB1 e3opmB2 e3opmC1 e3opmC2 e3opmD1 e3opmD2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot