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- ChemComp-4JO: 5-bromo-6-methylpyridin-2-amine -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: 4JO
NameName: 5-bromo-6-methylpyridin-2-amine

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Chemical information

Composition
Formula: C6H7BrN2 / Number of atoms: 16 / Formula weight: 187.037 / Formal charge: 0
Others

4yro

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4JO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4YRO
History
Create componentMar 23, 2015
Initial releaseAug 12, 2015
External linksUniChem / ChemSpider / ChemicalBook / CompTox / NMRShiftDB / 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 12.01Brc1ccc(nc1C)N
CACTVS 3.385Cc1nc(N)ccc1Br
OpenEye OEToolkits 1.9.2Cc1c(ccc(n1)N)Br

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SMILES CANONICAL

CACTVS 3.385Cc1nc(N)ccc1Br
OpenEye OEToolkits 1.9.2Cc1c(ccc(n1)N)Br

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InChI

InChI 1.03InChI=1S/C6H7BrN2/c1-4-5(7)2-3-6(8)9-4/h2-3H,1H3,(H2,8,9)

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InChIKey

InChI 1.03SEOZHXRTVJPQPZ-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.015-bromo-6-methylpyridin-2-amine
OpenEye OEToolkits 1.9.25-bromanyl-6-methyl-pyridin-2-amine

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PDB entries

Showing all 3 items

PDB-4yro:
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-bromo-6-methylpyridin-2-amine (Chem 491)

PDB-5rtq:
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000019015078

PDB-7h9j:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z57376600 (CHIKV_MacB-x1454)

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