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Yorodumi- ChemComp-Q31: 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pe... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q31 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H25N3O5 / Number of atoms: 53 / Formula weight: 387.43 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: Q31 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4CJE | ||||||
History |
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External links | UniChem / PubChem / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 1 items
PDB-4cje:
Interrogating HIV integrase for compounds that bind- a SAMPL challenge