PDB ligand accession: R03
DrugBank: DB03888
PubChem:
ChEMBL:
InChI Key: FNZKIJOTNKEJBF-UHFFFAOYSA-N
SMILES: Cn1c2cc(ccc2c(n1)c3ccc(cc3)Br)OCCCCCCN(C)CC=C
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 |
---|---|---|---|---|---|
1H39 | Download | Experimental | e1h39A1 e1h39A2 e1h39B1 e1h39B2 e1h39C1 e1h39C2 | Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |