PDB ligand accession: R04
DrugBank: DB02139
PubChem:
ChEMBL:
InChI Key: YDWPQZUWZDRRSE-AATRIKPKSA-N
SMILES: Cn1c2cc(c(cc2c(n1)c3ccc(cc3)Br)F)OCC=CCN(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 |
---|---|---|---|---|---|
1H3A | Download | Experimental | e1h3aA1 e1h3aA2 e1h3aB1 e1h3aB2 e1h3aC1 e1h3aC2 | Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins | LigPlot |