+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X0V |
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Name | Name: |
-Chemical information
Composition | Formula: C7H7F3N2 / Number of atoms: 19 / Formula weight: 176.139 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X0V / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2X0V | ||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.6.1 | |
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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 1.6.1 | |
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-PDB entries
Showing all 3 items
PDB-2x0v:
STRUCTURE OF THE P53 CORE DOMAIN MUTANT Y220C BOUND TO 4-(trifluoromethyl)benzene-1,2-diamine
PDB-5eiw:
DENGUE 3 NS5 METHYLTRANSFERASE BOUND TO S-ADENOSYL METHIONINE AND FRAGMENT NB3C2
PDB-6vsg:
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(trifluoromethyl)benzene-1,2-diamine(fragment 17)