PDB ligand accession: 3Q2
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WNVXQKKSIHKYCX-SECBINFHSA-N
SMILES: CC1COCCN1c2cc(nc(n2)N)c3ccc4c(c3)n[nH]c4N
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 |
---|---|---|---|---|---|
3QCX | Download | Experimental | e3qcxA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |