PDB ligand accession: 5A1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GFFCPACLFKCZTI-UHFFFAOYSA-N
SMILES: CC1(CN=C(S1)N2CCN(CC2)c3c4cc(sc4ncn3)C(C(F)(F)F)(F)F)C
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 |
---|---|---|---|---|---|
5DDF | Download | Experimental | e5ddfA1 e5ddfA2 | Repetitive alpha hairpins Cysteine proteinases-like | LigPlot |