Ligand name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
PDB ligand accession: 1WH
DrugBank: n/a
PubChem: 15950463
ChEMBL: CHEMBL2441836
InChI Key: LKKWOSVPEMTNNP-UHFFFAOYSA-N
SMILES: Cc1c(c(c2c(n1)CN(C2=O)CCOC)c3ccc(cc3Cl)Cl)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
4LKO	Download	Experimental	e4lkoA1 e4lkoA2 e4lkoB1 e4lkoB2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot