PDB ligand accession: 54M
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MLDNPVIFXVSEGX-OAQYLSRUSA-N
SMILES: COc1ccc(cc1)C2(CCC(=N2)N)c3cccc(c3)c4cncnc4
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 |
---|---|---|---|---|---|
4B77 | Download | Experimental | e4b77A2 | cradle loop barrel | LigPlot |