PDB ligand accession: TWK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BGLHMMMVKDNVCA-UHFFFAOYSA-N
SMILES: Cn1c(c(c2c1ncnc2N)C#N)c3cccc(c3F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyrroles
- Subclass: Substituted pyrroles
- Class: Pyrroles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7BJO | Download | Experimental | e7bjoA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |