PDB ligand accession: B9W
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ZQFNDBISEYQVRR-LOSJGSFVSA-N
SMILES: CC(C)C(C(c1ccccc1)Oc2ccc3c(c2)cnn3C4=CN(C(=O)C=C4)C)NC(=O)C(C)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyrazolylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6EL9 | Download | Experimental | e6el9A1 | Nuclear receptor ligand-binding domain | LigPlot |