PDB ligand accession: JSK
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: WVTAXSQMBJVQAL-BBWFWOEESA-N
SMILES: c1cc(ccc1c2cn(nn2)CC3C(C(CN3)O)O)OCCOCCNN=N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Triazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6R4K | Download | Experimental | e6r4kA1 e6r4kB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |