PDB ligand accession: NXH
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JBFXVNVPMKLJIS-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)Nc1ccncc1
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: None
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6TTQ | Download | Experimental | e6ttqA2 e6ttqB2 e6ttqB3 e6ttqC1 e6ttqD2 | TIM beta/alpha-barrel PK C-terminal domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |