PDB ligand accession: D3C
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: LULDEXNDCODGTE-LBPRGKRZSA-N
SMILES: c1cc(n2c1CN(CC2)C(=O)NCCC(Cc3cc(c(cc3F)F)F)N)C(F)(F)F
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 |
---|---|---|---|---|---|
4J3J | Download | Experimental | e4j3jA1 e4j3jA2 e4j3jB1 e4j3jB2 | alpha/beta-Hydrolases beta-propeller-like beta-propeller-like alpha/beta-Hydrolases | LigPlot |