PDB ligand accession: CM8
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GPMRAYXRPZKTFK-URLMMPGGSA-N
SMILES: CCNc1cc(cc(c1)N2CCCCS2(=O)=O)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)C(F)(F)F)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylbutylamines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VNM | Download | Experimental | e2vnmA3 | cradle loop barrel | LigPlot |