Ligand name: ~{N}-(4-azanylbutyl)-~{N}-(2-azanyl-2-oxidanylidene-ethyl)-7-(3-azanyl-3-oxidanylidene-propyl)-4-(dimethylamino)-2-(2-naphthalen-2-ylethylamino)pyrrolo[2,3-d]pyrimidine-6-carboxamide
PDB ligand accession: H6H
DrugBank: n/a
PubChem: 138320055
ChEMBL: n/a
InChI Key: WDNXQKSPKHPWGU-UHFFFAOYSA-N
SMILES: CN(C)c1c2cc(n(c2nc(n1)NCCc3ccc4ccccc4c3)CCC(=O)N)C(=O)N(CCCCN)CC(=O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A4HSF7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6I7N	Download	Experimental	e6i7nA3 e6i7nB3	FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot