PDB ligand accession: 8BH
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OJMXHLJIMZMFGX-WEVVVXLNSA-N
SMILES: c1ccc2c(c1)c(c[nH]2)C=C(C#N)c3c(c([nH]n3)N)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7X4H | Download | Experimental | e7x4hA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |