PDB ligand accession: D65
DrugBank: DB12397
PubChem:
ChEMBL:
InChI Key: OIZSVTOIBNSVOS-UHFFFAOYSA-N
SMILES: Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Triazolopyrimidines
- Subclass: None
- Class: Triazolopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5BOO | Download | Experimental | e5booA1 e5booB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
4RX0 | Download | Experimental | e4rx0A1 | TIM beta/alpha-barrel | LigPlot |