PDB ligand accession: 1KS
DrugBank: DB12550
PubChem:
ChEMBL:
InChI Key: SZBGQDXLNMELTB-UHFFFAOYSA-N
SMILES: Cn1c(ccn1)c2c3ccccc3c(nn2)N4CCC(CC4)N(C)C(=O)c5ccc(cc5C(F)(F)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JKV | Download | Experimental | e4jkvA2 e4jkvB1 | Family A G protein-coupled receptor-like Family A G protein-coupled receptor-like | LigPlot |