PDB ligand accession: ISA
DrugBank: DB02570
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 |
---|---|---|---|---|
P04632 | Download | Predicted | P04632_F1_nD1 | EF-hand |
1KFU | Predicted | e1kfuS1 e1kfuS2 | ||
1KFX | Predicted | e1kfxS1 e1kfxS2 | ||
4PHJ | Predicted | e4phjA1 e4phjB1 e4phjA2 e4phjB2 | ||
4PHK | Predicted | e4phkA1 e4phkB1 e4phkA2 e4phkB2 | ||
4PHM | Predicted | e4phmA1 e4phmB1 e4phmA2 e4phmB2 | ||
4WQ2 | Predicted | e4wq2A1 e4wq2B1 e4wq2A2 e4wq2B2 | ||
4WQ3 | Predicted | e4wq3A2 e4wq3B1 e4wq3A1 e4wq3B2 | ||
5D69 | Predicted | e5d69A1 e5d69B2 e5d69A2 e5d69B1 |