PDB ligand accession: 3K9
DrugBank: DB14774
PubChem:
ChEMBL:
InChI Key: KVHRYLNQDWXAGI-UHFFFAOYSA-N
SMILES: COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)n5cccn5
Drug action: inhibitor
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 |
---|---|---|---|---|---|
3WYM | Download | Experimental | e3wymA1 e3wymB1 | PDEase-like PDEase-like | LigPlot |