PDB ligand accession: S2I
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XLIJLZCIQJERJQ-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4)NCCCO
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 |
---|---|---|---|---|---|
5A1L | Download | Experimental | e5a1lA1 e5a1lB1 | jelly-roll jelly-roll | LigPlot |