PDB ligand accession: 422
DrugBank: DB07075
PubChem:
ChEMBL:
InChI Key: WBKUBPBCFYCSRT-UHFFFAOYSA-N
SMILES: c1cc2c(cc1CN3CCC(CC3)CN)cc([nH]2)c4c5ccc(cc5[nH]n4)C#N
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 |
---|---|---|---|---|---|
2HXL | Download | Experimental | e2hxlA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |