PDB ligand accession: 2LD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: XUXZMSAUXVFNPQ-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCC2=CNC(=O)C(=C2)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Hydropyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3W4J | Download | Experimental | e3w4jA1 e3w4jA2 e3w4jB1 e3w4jB2 e3w4jC1 e3w4jC2 e3w4jD1 e3w4jD2 | FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like | LigPlot |