PDB ligand accession: 4AA
DrugBank: DB04598
PubChem:
ChEMBL:
InChI Key: VWEPFJPQZFIOAU-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1C(=O)O)N)O)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6BVQ | Download | Experimental | e6bvqA1 | jelly-roll | LigPlot |
6BVS | Download | Experimental | e6bvsA1 | jelly-roll | LigPlot |
1YFW | Download | Experimental | e1yfwA1 | jelly-roll | LigPlot |
6D61 | Download | Experimental | e6d61A1 | jelly-roll | LigPlot |
1YFX | Download | Experimental | e1yfxA1 | jelly-roll | LigPlot |