Ligand name: tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate
PDB ligand accession: ED4
DrugBank: n/a
PubChem: 16086150
ChEMBL: CHEMBL385072
InChI Key: NYTPJJDEMIZHPE-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)CN(CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Piperidinecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3E30	Download	Experimental	e3e30B1 e3e30A1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot