PDB ligand accession: 0C4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NCXZWZMYZVWHNN-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)Nc2ccnc(n2)Nc3ccc(cc3)C(=O)O)Br
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 |
---|---|---|---|---|---|
3UOH | Download | Experimental | e3uohA2 e3uohB2 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |