PDB ligand accession: NJD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NSJQROISOSHTBB-UHFFFAOYSA-N
SMILES: COc1nc(nc(n1)Nc2ccc3c(c2)cn[nH]3)NCCc4c[nH]c5c4cccc5
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 |
---|---|---|---|---|---|
4NJD | Download | Experimental | e4njdA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |