+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IPQ |
---|---|
Name | Name: Synonyms: 2-azanyl-7-[[3,4-bis(fluoranyl)phenyl]methyl]-9H-purin-7-ium-6-ol |
-Chemical information
Composition | Formula: C12H10F2N5O / Number of atoms: 30 / Formula weight: 278.238 / Formal charge: 1 | ||||||||
---|---|---|---|---|---|---|---|---|---|
Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: IPQ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZEH / Parent comp.: GUN | ||||||||
History |
| ||||||||
External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
---|
-InChI
InChI 1.06 |
---|
-InChIKey
InChI 1.06 |
---|
-PDB entries
Showing all 1 items
PDB-7zeh:
Human cytosolic 5' nucleotidase IIIB in complex with 3,4-diF-Bn7Guanine