PDB ligand accession: PHT
DrugBank: DB02746
PubChem: 1017;18183610;
ChEMBL:
InChI Key: XNGIFLGASWRNHJ-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)O)C(=O)O
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 |
---|---|---|---|---|---|
3C2V | Download | Experimental | e3c2vA2 | TIM beta/alpha-barrel | LigPlot |
3C2R | Download | Experimental | e3c2rA1 e3c2rB1 e3c2rA2 e3c2rB2 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel | LigPlot |