PDB ligand accession: 454
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UFWSJOVQEPTPNE-UHFFFAOYSA-N
SMILES: c1ccc(cc1)C2(C3=NCCCN3C(=N2)N)c4ccccc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylmethanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3IGB | Download | Experimental | e3igbA2 e3igbA3 | cradle loop barrel cradle loop barrel | LigPlot |