PDB ligand accession: TR3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DHDKYDLNUPJXFQ-UHFFFAOYSA-N
SMILES: CSc1c2ccc(cc2n(n1)c3ccccc3)NC(=O)C4CCNCC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Pyrazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3NC9 | Download | Experimental | e3nc9B1 | Rossmann-like | LigPlot |