PDB ligand accession: 33T
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OMWNFYWEMXUREB-LLVKDONJSA-N
SMILES: CC1CN(CCN1S(=O)(=O)c2ccc(cc2Cl)C(=O)N)c3ccc(cc3C(F)(F)F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazinanes
- Subclass: Piperazines
- Class: Diazinanes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3H6K | Download | Experimental | e3h6kA1 e3h6kB1 e3h6kC1 e3h6kD1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |