PDB ligand accession: YIY
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VWGLIDHWYMNSEW-BYNJWEBRSA-N
SMILES: CC(C)(C)C1=CC(=NC(=O)Nc2ccc(cc2)Oc3cccnc3)N(N1)c4cccc(c4)F
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 |
---|---|---|---|---|---|
2YIY | Download | Experimental | e2yiyA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |