PDB ligand accession: 74J
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IYQNBZMEHITBAA-UHFFFAOYSA-N
SMILES: Cn1c(nc(n1)c2cnc(c(n2)n3cc(cn3)C(=O)N)N)C4(CC4)c5ccccc5
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 |
---|---|---|---|---|---|
5T2I | Download | Experimental | e5t2iA4 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |