PDB ligand accession: 88R
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NQKOQSKMBSAXTD-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)CC(C(=O)O)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Phenylpropanoic acids
- Subclass: None
- Class: Phenylpropanoic acids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4AJI | Download | Experimental | e4ajiA3 e4ajiA2 e4ajiB3 e4ajiB2 e4ajiC1 e4ajiC2 e4ajiD3 e4ajiD2 | LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |
4AJJ | Download | Experimental | e4ajjB1 e4ajjB2 e4ajjC3 e4ajjC2 | LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like | LigPlot |