PDB ligand accession: 5N3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OWTUZFHMSVAQSQ-UHFFFAOYSA-N
SMILES: CC1(c2c(c(nc(n2)c3c[nH]nc3)Nc4c5cccc(c5[nH]n4)Cl)CO1)C
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 |
---|---|---|---|---|---|
5EDQ | Download | Experimental | e5edqA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |