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Yorodumi- ChemComp-R2D: [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: R2D |
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Name | Name: [ |
-Chemical information
Composition | Formula: C17H11ClN2O2S / Number of atoms: 34 / Formula weight: 342.799 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: R2D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6VLM | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / 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 12.01 | CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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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 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-6vlm:
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit