PDB ligand accession: XRA
DrugBank: DB00457
PubChem:
ChEMBL:
InChI Key: IENZQIKPVFGBNW-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)nc(nc2N)N3CCN(CC3)C(=O)c4ccco4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3OWX | Download | Experimental | e3owxA1 e3owxB1 | Flavodoxin-like Flavodoxin-like | LigPlot |