PDB ligand accession: G44
DrugBank: DB07809
PubChem:
ChEMBL: n/a
InChI Key: MBJYEMUMDMGQQC-UHFFFAOYSA-N
SMILES: [H]N=C(c1ccc(cc1)CNc2cc(ccn2)C(=O)c3cccc(c3)C)N
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 |
---|---|---|---|---|---|
2PKS | Download | Experimental | e2pks.1 | cradle loop barrel | LigPlot |