PDB ligand accession: 3KY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WKDRRKVUJLNFSR-UHFFFAOYSA-N
SMILES: CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4R9S | Download | Experimental | e4r9sA1 e4r9sC1 e4r9sE1 e4r9sG1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |