PDB ligand accession: C9O
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XBRQXNKVCFFZSD-UHFFFAOYSA-N
SMILES: COc1c2cc(cnc2[nH]n1)c3cn(nn3)c4c(ccc(c4F)NS(=O)(=O)c5cccc(c5)Br)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridyltriazoles
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6JUT | Download | Experimental | e6jutA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |