PDB ligand accession: BDM
DrugBank: DB02809
PubChem:
ChEMBL: n/a
InChI Key: SZAVCZNFKJSWRN-LBPRGKRZSA-M
SMILES: COc1cc(cc(c1Br)OCCCC(CCC(=O)[O-])C(=O)[O-])Cc2c[nH+]c(nc2N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: Anisoles
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1DIU | Download | Experimental | e1diuA1 | Dihydrofolate reductases | LigPlot |
1DIS | Download | Experimental | e1disA1 | Dihydrofolate reductases | LigPlot |