PDB ligand accession: 3HK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VSCASMLRSQQEQP-UHFFFAOYSA-N
SMILES: COc1cc-2c(cc1OCCCN3CCOCC3)Cc4c2[nH]nc4c5ccc(cc5)C#N
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 |
---|---|---|---|---|---|
4FTO | Download | Experimental | e4ftoA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |