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Yorodumi- ChemComp-NG2: N-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-4... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NG2 |
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Name | Name: |
-Chemical information
Composition | Formula: C29H30F3N5O2 / Number of atoms: 69 / Formula weight: 537.576 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: NG2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4O91 | ||||
History |
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External links | BindingDB / UniChem / Brenda / ChEMBL / ChemicalBook / CompTox / GtoPharmacology / HMDB / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-4o91:
Crystal Structure of type II inhibitor NG25 bound to TAK1-TAB1