PDB ligand accession: Z63
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: JYLDWTJXERPEGH-UHFFFAOYSA-N
SMILES: C=CCNc1nc(c(s1)C(=O)c2ccncc2)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Pyridinecarboxylic acids and derivatives
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3R8Z | Download | Experimental | e3r8zA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |