PDB ligand accession: 5W3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: MSAKNAXUJISZBR-UHFFFAOYSA-N
SMILES: Cc1c(n2c(n1)c(cc(n2)Cl)NCCNC(=O)C)c3ccc(c(c3)S(=O)(=O)NCCO)OC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Imidazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5FBV | Download | Experimental | e5fbvA2 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |