PDB ligand accession: O38
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: OVHGMKGIRAADEL-UHFFFAOYSA-N
SMILES: Cn1cc(cn1)c2ccc(cc2OCC#N)Nc3ccc(c(n3)NC4CCCCC4)C#N
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 |
---|---|---|---|---|---|
5AP1 | Download | Experimental | e5ap1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
5AP4 | Download | Experimental | e5ap4A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
3WYX | Download | Experimental | e3wyxA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |