PDB ligand accession: 26J
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XXSIMQFFRSHXQZ-UHFFFAOYSA-N
SMILES: c1c(cc(c2c1C(=O)N=C(S2)N3CCN(CC3)CC4CCCCC4)NO)C(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 |
---|---|---|---|---|---|
4NCR | Download | Experimental | e4ncrA5 e4ncrA6 e4ncrB1 e4ncrB2 | Alpha-beta plaits FAD-binding domain-like FAD-binding domain-like Alpha-beta plaits | LigPlot |