PDB ligand accession: I16
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: INAQUPORVOZIIL-UHFFFAOYSA-N
SMILES: c1cc(ccc1CN)c2c(nc(cn2)NCC3CCNCC3)c4ccc(cc4)c5ccoc5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylmethylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6MO1 | Download | Experimental | e6mo1A1 e6mo1B1 | cradle loop barrel cradle loop barrel | LigPlot |