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Yorodumi- ChemComp-Q2J: 3-{[(3-{6-amino-8-[(6-iodo-2H-1,3-benzodioxol-5-yl)sulfanyl]-9H-p... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: Q2J |
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Name | Name: |
-Chemical information
Composition | Formula: C22H21IN6O4S2 / Number of atoms: 56 / Formula weight: 624.474 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Q2J / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6U99 | ||||
History |
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External links | UniChem / ChemSpider / PubChem / 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-6u99:
Hsp90a NTD covalently bound to sulfonyl fluoride probe 1 at K58