PDB ligand accession: NLI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IDCKXHIGLKQWMM-UHFFFAOYSA-N
SMILES: CC1=CN=C(C(=O)N1CC(=O)NCCONC(=N)N)NCC(c2ccccc2)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrazines
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3LDX | Download | Experimental | e3ldx.1 | cradle loop barrel | LigPlot |