PDB ligand accession: 45M
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QKAHAXIACNFPOK-UHFFFAOYSA-N
SMILES: c1cc(ccc1C(=O)NNC2=NCCC2)Br
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 |
---|---|---|---|---|---|
4Y39 | Download | Experimental | e4y39A1 e4y39A2 | cradle loop barrel cradle loop barrel | LigPlot |