PDB ligand accession: VUD
DrugBank: DB18122
PubChem:
ChEMBL:
InChI Key: CLEFVPILGAPOTG-NSHDSACASA-N
SMILES: CC(C1=C(C=CC(=O)N1)n2cccn2)Oc3cc4cc(ccc4nc3N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyrazolylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7JY3 | Download | Experimental | e7jy3A1 e7jy3C1 | Globin-like Globin-like | LigPlot |