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- ChemComp-A1U: 3,5-dimethylpyrazin-2-ol -

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Basic information

EntryDatabase: PDB chemical components / ID: A1U
NameName: 3,5-dimethylpyrazin-2-ol

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Chemical information

Composition
Formula: C6H8N2O / Number of atoms: 17 / Formula weight: 124.141 / Formal charge: 0
Others

6ide

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A1U / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6IDE
History
Create componentSep 13, 2018
Initial releaseJan 16, 2019
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 12.01c1c(C)nc(c(n1)O)C
CACTVS 3.385Cc1cnc(O)c(C)n1
OpenEye OEToolkits 2.0.6Cc1cnc(c(n1)C)O

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SMILES CANONICAL

CACTVS 3.385Cc1cnc(O)c(C)n1
OpenEye OEToolkits 2.0.6Cc1cnc(c(n1)C)O

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InChI

InChI 1.03InChI=1S/C6H8N2O/c1-4-3-7-6(9)5(2)8-4/h3H,1-2H3,(H,7,9)

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InChIKey

InChI 1.03AJYKJVCIKQEVCF-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.013,5-dimethylpyrazin-2-ol
OpenEye OEToolkits 2.0.63,5-dimethylpyrazin-2-ol

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PDB entries

Showing all 3 items

PDB-6ide:
Crystal structure of the Vibrio cholera VqmA-Ligand-DNA complex provides molecular mechanisms for drug design

PDB-6kju:
Huge conformation shift of Vibrio cholerae VqmA dimer in the absence of target DNA provides insight into DNA-binding mechanisms of LuxR-type receptors

PDB-7dwm:
Crystal structure of the phage VqmA-DPO complex

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