PDB ligand accession: HKC
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NDAAHSGATZAMOW-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Tetrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4FSR | Download | Experimental | e4fsrA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |