PDB ligand accession: MIH
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WLMGLORLNFEUDG-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3MW1 | Download | Experimental | e3mw1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |