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- ChemComp-53B: 6-hydroxypyridine-2-carboxylic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: 53B
NameName: 6-hydroxypyridine-2-carboxylic acid

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Chemical information

Composition
Formula: C6H5NO3 / Number of atoms: 15 / Formula weight: 139.109 / Formal charge: 0
Others

5cq3

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 53B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5CQ3
History
Create componentJul 21, 2015
Initial releaseSep 9, 2015
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 12.01c1cc(nc(c1)C(=O)O)O
CACTVS 3.385OC(=O)c1cccc(O)n1
OpenEye OEToolkits 1.9.2c1cc(nc(c1)O)C(=O)O

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SMILES CANONICAL

CACTVS 3.385OC(=O)c1cccc(O)n1
OpenEye OEToolkits 1.9.2c1cc(nc(c1)O)C(=O)O

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InChI

InChI 1.03InChI=1S/C6H5NO3/c8-5-3-1-2-4(7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)

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InChIKey

InChI 1.03VRCWSYYXUCKEED-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.016-hydroxypyridine-2-carboxylic acid
OpenEye OEToolkits 1.9.26-oxidanylpyridine-2-carboxylic acid

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PDB entries

Showing all 2 items

PDB-5cq3:
Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 6-Hydroxypicolinic acid (SGC - Diamond I04-1 fragment screening)

PDB-5pba:
PanDDA analysis group deposition -- Crystal Structure of BAZ2B in complex with N09460a

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