PDB ligand accession: DH3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JAGSWKLZBKKKJP-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1OC)C#CCCCC(=O)O)Cc2cnc(nc2N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Methoxybenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2FZJ | Download | Experimental | e2fzjA1 | Dihydrofolate reductases | LigPlot |