PDB ligand accession: E2J
DrugBank: DB12693
PubChem:
ChEMBL:
InChI Key: JUQLTPCYUFPYKE-UHFFFAOYSA-N
SMILES: CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(c4ccc(cc4)F)c5ccc(cc5)F)CC3
Drug action: antagonist
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylmethanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6BQH | Download | Experimental | e6bqhA1 | Family A G protein-coupled receptor-like | LigPlot |