PDB ligand accession: 6SC
DrugBank: DB07210
PubChem:
ChEMBL:
InChI Key: JECHSYMSTXETFI-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2cc(n3c(n2)c(cn3)Br)NCc4ccncc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2R3R | Download | Experimental | e2r3rA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |