PDB ligand accession: 4V9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZJRNBCJAMQCQNC-UHFFFAOYSA-N
SMILES: c1ccnc(c1)N2CCc3c(c([nH]n3)c4ccc(cc4)F)C2
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 |
---|---|---|---|---|---|
5BUI | Download | Experimental | e5buiA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |