PDB ligand accession: 2IY
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: KRQSUBRVYHNKPM-UHFFFAOYSA-N
SMILES: CSc1c(c(n[nH]1)c2ccc(cc2)Cl)C#N
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 |
---|---|---|---|---|---|
7OWV | Download | Experimental | e7owvA1 e7owvB1 | Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |