PDB ligand accession: HCI
DrugBank: DB02024
PubChem:
ChEMBL:
InChI Key: XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCC(=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 |
---|---|---|---|---|---|
1AHX | Download | Experimental | e1ahxA2 e1ahxA3 e1ahxB3 e1ahxA3 e1ahxB2 e1ahxB3 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |
1TOJ | Download | Experimental | e1tojA2 e1tojA3 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |
1TOI | Download | Experimental | e1toiA2 e1toiA3 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |
1TOG | Download | Experimental | e1togA2 e1togA3 e1togB3 e1togA3 e1togB2 e1togB3 | C-terminal domain in some PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases C-terminal domain in some PLP-dependent transferases PLP-dependent transferases | LigPlot |