PDB ligand accession: D05
DrugBank: DB07606
PubChem: 5288015;135402970;
ChEMBL:
InChI Key: OPRAIFVPXXVXDL-UHFFFAOYSA-N
SMILES: CCc1c2c(n(n1)c3c(cc(cc3Cl)Cl)Cl)N=C(NC2=O)Cc4ccc(c(c4)O)O
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 |
---|---|---|---|---|---|
2B54 | Download | Experimental | e2b54A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |