PDB ligand accession: 0NF
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NHVJQLRLGGPUJY-KRWDZBQOSA-N
SMILES: CC(C)(c1cc(cc(c1)NC(=O)C2CCc3ccc(cc3C2)Oc4ccnc5c4CCC(=O)N5)C(F)(F)F)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthalenecarboxylic acids and derivatives
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3Q96 | Download | Experimental | e3q96A1 e3q96B1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |