PDB ligand accession: H24
DrugBank: DB07874
PubChem:
ChEMBL:
InChI Key: LQOCXPOKEPYGTJ-IBGZPJMESA-N
SMILES: CC1(CC(=O)N(C(=N1)N)C)c2cccc(c2)c3cccc(c3)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Biphenyls and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4FS4 | Download | Experimental | e4fs4A2 e4fs4A3 e4fs4B2 e4fs4B3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |
2VA6 | Download | Experimental | e2va6A2 e2va6A3 | cradle loop barrel cradle loop barrel | LigPlot |