PDB ligand accession: I1H
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: UVSAHJWEJXWVGO-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OCCc2ccc(cc2Cl)Cl)C(=O)NCC3CCN(CC3)c4ccncc4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2BMG | Download | Experimental | e2bmgB1 | cradle loop barrel | LigPlot |