PDB ligand accession: NN9
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WXURPGONLMDDHC-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN
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 |
---|---|---|---|---|---|
8APT | Download | Experimental | e8aptA1 | alpha/beta knot | LigPlot |