PDB ligand accession: 7PY
DrugBank: DB07248
PubChem:
ChEMBL:
InChI Key: YENZSPIOXMNEFF-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)OC)Nc2ncc3ccn(c3n2)c4ccccn4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrrolopyrimidines
- Subclass: Pyrrolo[2,3-d]pyrimidines
- Class: Pyrrolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2ETM | Download | Experimental | e2etmA1 e2etmB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |