PDB ligand accession: 4GT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NNNGDGCCKKOXPR-UHFFFAOYSA-N
SMILES: c1c(c(nc(n1)NC2CCCC2)N)C(=O)N
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 |
---|---|---|---|---|---|
4YQJ | Download | Experimental | e4yqjA1 | alpha/beta knot | LigPlot |