PDB ligand accession: MRA
DrugBank: DB08208
PubChem:
ChEMBL: n/a
InChI Key: AMNKRBRQQAMACZ-UHFFFAOYSA-N
SMILES: C#Cc1ccc(c(c1)F)Nc2c(ccc(c2F)F)C(=O)NOCCO
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2P55 | Download | Experimental | e2p55A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |