Ligand name: 3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(2-methoxyphenyl)-2-methyl-5,6-dihydro-7H-pyrrolo[3,4-b]pyridin-7-one
PDB ligand accession: KXA
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL1909991
InChI Key: YFKUZVBMNGNFRI-UHFFFAOYSA-N
SMILES: Cc1c(c(c2c(n1)C(=O)N(C2)c3ccccc3OC)c4ccc(cc4Cl)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
3SX4	Download	Experimental	e3sx4A1 e3sx4A2 e3sx4B1 e3sx4B2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot