PDB ligand accession: 28D
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: KVQZHZNPPJMLLH-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)c2c3cc(ccc3[nH]n2)C=C(C#N)n4cncn4
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 |
---|---|---|---|---|---|
4MAO | Download | Experimental | e4maoA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |