PDB ligand accession: EA9
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: VDJNZGXOMKRJML-AREMUKBSSA-N
SMILES: CCCOc1ccc(cc1OC)C2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6LE7 | Download | Experimental | e6le7A1 e6le7A2 | FKBP-like TIM beta/alpha-barrel | LigPlot |