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- ChemComp-J38: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: J38
NameName: (2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbohydroxamic acid

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Chemical information

Composition
Formula: C10H10N2O3S / Number of atoms: 26 / Formula weight: 238.263 / Formal charge: 0
Others

4bz8

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: J38 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4bz8
History
Create componentJul 25, 2013
Other modificationAug 5, 2013
Initial releaseAug 14, 2013
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=NC(=O)c2ccc1SC(C(=O)Nc1c2)C
CACTVS 3.385C[CH]1Sc2ccc(cc2NC1=O)C(=O)NO
OpenEye OEToolkits 1.7.6CC1C(=O)Nc2cc(ccc2S1)C(=O)NO

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SMILES CANONICAL

CACTVS 3.385C[C@H]1Sc2ccc(cc2NC1=O)C(=O)NO
OpenEye OEToolkits 1.7.6C[C@@H]1C(=O)Nc2cc(ccc2S1)C(=O)NO

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InChI

InChI 1.03InChI=1S/C10H8N2O3S/c1-5-9(13)11-7-4-6(10(14)12-15)2-3-8(7)16-5/h2-5H,1H3,(H,11,13)/t5-/m1/s1

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InChIKey

InChI 1.03YALBEYHVOFQECJ-RXMQYKEDSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2-methyl-N,3-dioxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
OpenEye OEToolkits 1.7.6(2R)-2-methyl-N-oxidanyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

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PDB entries

Showing all 1 items

PDB-4bz8:
Crystal structure of Schistosoma mansoni HDAC8 complexed with J1038

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