PDB ligand accession: 925
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WZEJOLDIQBJKQR-UHFFFAOYSA-N
SMILES: CC1(CC(CC(N1O)(C)C)NC(=O)c2cccc(c2)c3cc4nccc(n4n3)Nc5cccc(c5)O)C
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 |
---|---|---|---|---|---|
3KXZ | Download | Experimental | e3kxzA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |