PDB ligand accession: BBO
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GQPIEFFYGONFTJ-UHFFFAOYSA-N
SMILES: c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN4CCOCC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: Isoquinolones and derivatives
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JAW | Download | Experimental | e6jawA1 e6jawA2 | TIM beta/alpha-barrel FKBP-like | LigPlot |