PDB ligand accession: R62
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: BUYUFJZVMVFQLQ-UHFFFAOYSA-N
SMILES: CC1(CCC(c2c1ncc(n2)C#Cc3ccc(cc3)C(=O)O)(C)C)C
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 |
---|---|---|---|---|---|
7A9Z | Download | Experimental | e7a9zAAA1 | Lipocalins/Streptavidin | LigPlot |