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- ChemComp-N6M: N-METHYL-9H-PURIN-6-AMINE -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: N6M
NameName: N-methyl-9H-purin-6-amine / Synonyms: N6-METHYL ADENINE

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Chemical information

Composition
Formula: C6H7N5 / Number of atoms: 18 / Formula weight: 149.153 / Formal charge: 0
Others

2xo1

Type: non-polymer / PDB classification: HETAIN / Three letter code: N6M / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2XO1
History
Create componentAug 9, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / KEGG_Ligand / Metabolights / 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 10.04n2c1c(ncn1)c(nc2)NC
CACTVS 3.352CNc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.6.1CNc1c2c([nH]cn2)ncn1

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SMILES CANONICAL

CACTVS 3.352CNc1ncnc2[nH]cnc12
OpenEye OEToolkits 1.6.1CNc1c2c([nH]cn2)ncn1

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InChI

InChI 1.03InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)

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InChIKey

InChI 1.03CKOMXBHMKXXTNW-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-methyl-9H-purin-6-amine
OpenEye OEToolkits 1.6.1N-methyl-9H-purin-6-amine

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PDB entries

Showing all 4 items

PDB-2xo1:
xpt-pbuX C74U Riboswitch from B. subtilis bound to N6-methyladenine

PDB-7s98:
Cryogenic Human Hsp90a-NTD bound to N6M

PDB-7s99:
Room-temperature Human Hsp90a-NTD bound to N6M

PDB-7ywb:
Crystal structure of YTHDF2 in complex with N6-Methyladenine

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