PDB ligand accession: 4TQ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: NWNBKQCPAUNKSG-INIZCTEOSA-N
SMILES: CC1CN(c2ccc(nc2N1C(=O)Nc3cccc(c3)c4cnco4)c5cccc(c5)C(F)(F)F)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ZZJ | Download | Experimental | e4zzjA1 | Rossmann-like | LigPlot |
4ZZI | Download | Experimental | e4zziA1 | Rossmann-like | LigPlot |