PDB ligand accession: BBA
DrugBank: DB02081
PubChem:
ChEMBL: n/a
InChI Key: BXYGSMRTHHSAHZ-PMACEKPBSA-N
SMILES: c1cc(ccc1CC2CCCCC(C2=O)Cc3ccc(cc3)C(=N)N)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: None
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1A5H | Download | Experimental | e1a5h.1 e1a5h.2 | cradle loop barrel cradle loop barrel | LigPlot |