+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 4AN |
---|---|
Name | Name: |
-Chemical information
Composition | Formula: C12H8N2O2 / Number of atoms: 24 / Formula weight: 212.204 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4AN / Model coordinates PDB-ID: 2PAX | ||||||
History |
| ||||||
External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-PDB entries
Showing all 1 items
PDB-2pax:
THE CATALYTIC FRAGMENT OF POLY(ADP-RIBOSE) POLYMERASE COMPLEXED WITH 4-AMINO-1,8-NAPHTHALIMIDE