+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3NT |
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Name | Name: |
-Chemical information
Composition | Formula: C7H7NO2 / Number of atoms: 17 / Formula weight: 137.136 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3NT / Model coordinates PDB-ID: 2BMR | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / NMRShiftDB / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 4 items
PDB-2bmr:
The Crystal Structure of Nitrobenzene Dioxygenase in complex with 3- nitrotoluene
PDB-2hmo:
Crystal Structure of Naphthalene 1,2-Dioxygenase Bound to 3-Nitrotoluene.
PDB-7y2c:
Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 90 K
PDB-7y2e:
Zn-Carbonic Anhydrase II complexed with 3NPA after UV at 120 K