Ligand name: (3-{(3R)-1-[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]piperidin-3-yl}-2-methyl-1H-pyrrolo[2,3-b]pyridin-1-yl)acetonitrile
PDB ligand accession: QK5
DrugBank: n/a
PubChem: 51000424
ChEMBL: n/a
InChI Key: OZRJTNXVIRAQAD-FQEVSTJZSA-N
SMILES: Cc1c(c2cccnc2n1CC#N)C3CCCN(C3)c4nccc(n4)c5cc6ccccc6s5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyridines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P97612

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3QK5	Download	Experimental	e3qk5A1 e3qk5B1	Amidase signature (AS) enzymes Amidase signature (AS) enzymes	LigPlot