Ligand name: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol
PDB ligand accession: 9D1
DrugBank: n/a
PubChem: 44253315
ChEMBL: n/a
InChI Key: HCJQJVYIAVXTLD-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)O)CN(CCN2CCCC2)c3nc4ccc(cc4s3)c5ccncc5
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 P00517

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5VIB	Download	Experimental	e5vibA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot