PDB ligand accession: IR1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: RURYGRIJIZXNQD-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(nn4)N=NC5=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 |
---|---|---|---|---|---|
4IBM | Download | Experimental | e4ibmA1 e4ibmB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |