PDB ligand accession: PP2
DrugBank: DB03023
PubChem: n/a
ChEMBL: n/a
InChI Key: PBBRWFOVCUAONR-UHFFFAOYSA-O
SMILES: CC(C)(C)n1c2c(c([nH+]1)c3ccc(cc3)Cl)c(ncn2)N
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 |
---|---|---|---|---|---|
1QPE | Download | Experimental | e1qpeA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |