PDB ligand accession: 1QG
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: ZVSNVLKUNCNJEG-GOSISDBHSA-N
SMILES: Cn1cc(c(n1)c2ccc(cc2)F)c3ccnc(c3)C4COCCN4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KBK | Download | Experimental | e4kbkA1 e4kbkB1 e4kbkC1 e4kbkD1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |