PDB ligand accession: JA9
DrugBank: DB12245
PubChem:
ChEMBL:
InChI Key: NQPDXQQQCQDHHW-UHFFFAOYSA-N
SMILES: CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
7ERI | Download | Experimental | e7eriA1 e7eriB1 | Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich | LigPlot |