PDB ligand accession: 3YY
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MPQWYPLPWGUMJE-MRXNPFEDSA-N
SMILES: c1ccc(cc1)n2cc(c(n2)c3ccc(cc3)F)C4C(=O)NC(=O)N4
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 |
---|---|---|---|---|---|
3PYY | Download | Experimental | e3pyyA1 e3pyyA1 e3pyyB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |