Ligand name: [5-(aminomethyl)-6-(2,2-dimethylpropyl)-2-ethyl-4-(4-methylphenyl)pyridin-3-yl]acetic acid
PDB ligand accession: 01T
DrugBank: n/a
PubChem: 11996845;72200279;
ChEMBL: CHEMBL1614722
InChI Key: HQVOROHHYWZJLD-UHFFFAOYSA-N
SMILES: CCc1c(c(c(c(n1)CC(C)(C)C)CN)c2ccc(cc2)C)CC(=O)O
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
3O95	Download	Experimental	e3o95A1 e3o95A2 e3o95B1 e3o95B2 e3o95C1 e3o95C2 e3o95D1 e3o95D2	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