PDB ligand accession: YF4
DrugBank: DB03653
PubChem:
ChEMBL: n/a
InChI Key: UMZINNCUCWRLDQ-UHFFFAOYSA-N
SMILES: CCN(C)Cc1cnc(nc1N)C
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 |
---|---|---|---|---|---|
1T9A | Download | Experimental | e1t9aA3 e1t9aB2 | Thiamin diphosphate-binding fold (THDP-binding) Thiamin diphosphate-binding fold (THDP-binding) | LigPlot |