PDB ligand accession: RHQ
DrugBank: DB03825
PubChem:
ChEMBL: n/a
InChI Key: IWWWBRIIGAXLCJ-KRUMMXJUSA-O
SMILES: CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzopyrans
- Subclass: 1-benzopyrans
- Class: Benzopyrans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1T9V | Download | Experimental | e1t9vA9 e1t9vA13 e1t9vA14 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
5ENS | Download | Experimental | e5ensC1 e5ensC6 | Alpha-beta plaits Alpha-beta plaits | LigPlot |
1OY8 | Download | Experimental | e1oy8A1 | Multidrug efflux transporter AcrB transmembrane domain | LigPlot |