PDB ligand accession: 7S1
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PQYCRDPLPKGSME-CQSZACIVSA-N
SMILES: CC(c1ccccc1)NC(=Nc2cccc3c2cccn3)NC#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: None
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5U1V | Download | Experimental | e5u1vA1 | P2X purinoceptor | LigPlot |
5U2H | Download | Experimental | e5u2hA1 e5u2hB1 | P2X purinoceptor P2X purinoceptor | LigPlot |