PDB ligand accession: PHB
DrugBank: DB04242
PubChem: 135;3702506;
ChEMBL:
InChI Key: FJKROLUGYXJWQN-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)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 |
---|---|---|---|---|---|
1IUW | Download | Experimental | e1iuwA1 e1iuwA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1K0I | Download | Experimental | e1k0iA1 e1k0iA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1YKJ | Download | Experimental | e1ykjA1 e1ykjA2 e1ykjB1 e1ykjB2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1IUV | Download | Experimental | e1iuvA1 e1iuvA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1DOC | Download | Experimental | e1docA1 e1docA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1IUX | Download | Experimental | e1iuxA1 e1iuxA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1PXA | Download | Experimental | e1pxaA1 e1pxaA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1PXB | Download | Experimental | e1pxbA1 e1pxbA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1D7L | Download | Experimental | e1d7lA1 e1d7lA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1DOB | Download | Experimental | e1dobA1 e1dobA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |
1PXC | Download | Experimental | e1pxcA1 e1pxcA2 | FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |