PDB ligand accession: AE8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VJVBZXRLYHVXIQ-DEOSSOPVSA-N
SMILES: c1c(ncc2c1OCCO2)CNC3CCN(CC3)CC4(CN5c6c4c(cnc6C=CC5=O)F)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Naphthyridines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4BUL | Download | Experimental | e4bulA15 e4bulC12 | HTH HTH | LigPlot |