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- ChemComp-MY6: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MY6
NameName: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one

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Chemical information

Composition
Formula: C6H7N5O / Number of atoms: 19 / Formula weight: 165.153 / Formal charge: 0
Others

3my6

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MY6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3MY6
History
Create componentMay 12, 2010
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / ChEBI / 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 12.01O=C1c2c(N=C(N1)N)ncn2C
CACTVS 3.370Cn1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.0Cn1cnc2c1C(=O)NC(=N2)N

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SMILES CANONICAL

CACTVS 3.370Cn1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.0Cn1cnc2c1C(=O)NC(=N2)N

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InChI

InChI 1.03InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

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InChIKey

InChI 1.03FZWGECJQACGGTI-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-amino-7-methyl-1,7-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.7.02-azanyl-7-methyl-1H-purin-6-one

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PDB entries

Showing all 6 items

PDB-3my6:
Crystal Structure of the complex of type 1 ribosome inactivating protein with 7-methylguanine at 2.65 A resolution

PDB-4f9n:
Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution

PDB-4i47:
Crystal structure of the Ribosome inactivating protein complexed with methylated guanine

PDB-5kub:
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog

PDB-8axv:
Structure of an open form of CHIKV nsP1 capping pores

PDB-8dio:
Crystal structure of LARP1-DM15 from Danio rerio bound to m7GpppC

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