+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 8JW |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C6H5F3N2O / Number of atoms: 17 / Formula weight: 178.112 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 8JW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5N33 | ||||
History |
| ||||
External links | UniChem / ChemSpider / ChemicalBook / CompTox / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
---|
-PDB entries
Showing all 1 items
PDB-5n33:
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one