PDB ligand accession: AUN
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NCECUTFKDWLGRR-AWEZNQCLSA-N
SMILES: CC(C(=O)Nc1[nH]c(cn1)c2ccc(cc2)Br)Oc3ccc(cc3)c4cn(cn4)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5OU3 | Download | Experimental | e5ou3A1 | TIM beta/alpha-barrel | LigPlot |