PDB ligand accession: JGT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UYAOIRISFNRFCT-UHFFFAOYSA-N
SMILES: Cc1cc(c(c2c1cccc2)NC3=NCCN3)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6QSW | Download | Experimental | e6qswAAA1 e6qswBBB1 e6qswCCC1 | cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |