PDB ligand accession: H6K
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CUGADHZZTWSNMF-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2cc(n[nH]2)NC(=O)Nc3cnc(cn3)C#N
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 |
---|---|---|---|---|---|
4FTC | Download | Experimental | e4ftcA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |