PDB ligand accession: IRB
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: UHBJSHHMZNYBAE-HQMCVCOQSA-N
SMILES: c1cc2c(c(c1)Br)NC(=O)C2=C3C(=NO)c4cc(ccc4N3)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3KVW | Download | Experimental | e3kvwA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |