PDB ligand accession: 5JA
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: PHQDLOFSIWRQJZ-OAQYLSRUSA-N
SMILES: CC1Cc2c(c(n(n2)C)c3ccccc3)-c4c1cnc(n4)Nc5ccn(n5)CCN6CCN(CC6)CCOC
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 |
---|---|---|---|---|---|
5E1S | Download | Experimental | e5e1sA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |