PDB ligand accession: QOA
DrugBank: DB14904
PubChem:
ChEMBL:
InChI Key: VIUAUNHCRHHYNE-JTQLQIEISA-N
SMILES: c1cc(c(cc1I)F)Nc2cnccc2C(=O)NCC(CO)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinecarboxylic acids and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7M0W | Download | Experimental | e7m0wB1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |