PDB ligand accession: C5M
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: NMWFFNHLGKDPOV-LOSJGSFVSA-N
SMILES: Cc1cc(c(c(c1S(=O)(=O)NCC(C(Cc2ccccc2)NCc3cccc(c3)Cl)O)C)C)OC
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 |
---|---|---|---|---|---|
2C8X | Download | Experimental | e2c8x.1 | cradle loop barrel | LigPlot |