PDB ligand accession: 7S4
DrugBank: n/a
PubChem: 76967808;98050091;137348663;
ChEMBL: n/a
InChI Key: PUHSRMSFDASMAE-DEOSSOPVSA-N
SMILES: CC(C)(C)C(NC(=O)Cc1ccc(c(c1)OC)OC)NC(=NC#N)Nc2cccc3c2cccn3
Drug action: n/a
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5U1U | Download | Experimental | e5u1uA1 | P2X purinoceptor | LigPlot |