PDB ligand accession: J4X
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MMMVHDBARFPCLX-UHFFFAOYSA-N
SMILES: c1ccc(cc1)NC(=O)c2cc3ccc(cc3c(c2)Nc4ncccn4)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthalenecarboxylic acids and derivatives
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4CRG | Download | Experimental | e4crgA1 | cradle loop barrel | LigPlot |