Ligand name: 2-(4-methylpiperazin-1-yl)aniline
PDB ligand accession: QSS
DrugBank: n/a
PubChem: 286547
ChEMBL: CHEMBL1879790
InChI Key: INWHDRNGZMHXEZ-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccccc2N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q12888

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VA5	Download	Experimental	e6va5A1	SH3	LigPlot