PDB ligand accession: 1B1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: TWHSRVVFCICXII-OAQYLSRUSA-N
SMILES: CC#Cc1cc(cnc1)c2cccc(c2)C3(N=C(C(=N3)N)C)C4CC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4B1C | Download | Experimental | e4b1cA2 | cradle loop barrel | LigPlot |