PDB ligand accession: 2VU
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: LBYBJJIMARLHMV-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)C#N)Cn2cc(cn2)NC(=O)c3c4ccc(cc4[nH]n3)c5c[nH]nc5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrazoles
- Subclass: Indazoles
- Class: Benzopyrazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4PRJ | Download | Experimental | e4prjA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |