PDB ligand accession: 2J7
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XTLGIBKGPXLOFA-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)CNc2cc(ncn2)NCc3ccccc3O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4NBN | Download | Experimental | e4nbnA1 e4nbnB2 | Caspase-like Caspase-like | LigPlot |