PDB ligand accession: 7RI
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LZKFBFNVDKRHMH-UHFFFAOYSA-N
SMILES: CNC(=O)c1c2cc(ccc2[nH]n1)Br
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 |
---|---|---|---|---|---|
7R4N | Download | Experimental | e7r4nA1 | TIM beta/alpha-barrel | LigPlot |