PDB ligand accession: ISA
DrugBank: DB02570
PubChem:
ChEMBL: n/a
InChI Key: MXQYDIIKDPMYMF-QMMMGPOBSA-N
SMILES: c1cc(ccc1CC(C(=O)O)S)I
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 |
---|---|---|---|---|---|
1NX3 | Download | Experimental | e1nx3A1 e1nx3A2 | EF-hand EF-hand | LigPlot |
1ALW | Download | Experimental | e1alwA1 e1alwA2 e1alwB1 e1alwB2 | EF-hand EF-hand EF-hand EF-hand | LigPlot |