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- ChemComp-6AP: 9H-PURINE-2,6-DIAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6AP
NameName: 9H-purine-2,6-diamine / Synonyms: 2,6-DIAMINOPURINE

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Chemical information

Composition
Formula: C5H6N6 / Number of atoms: 17 / Formula weight: 150.141 / Formal charge: 0
Others

2b57

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6AP / Model coordinates PDB-ID: 2B57
History
Create componentOct 10, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / 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 10.04n1c(c2ncnc2nc1N)N
CACTVS 3.341Nc1nc(N)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)N

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SMILES CANONICAL

CACTVS 3.341Nc1nc(N)c2nc[nH]c2n1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)c(nc(n2)N)N

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InChI

InChI 1.03InChI=1S/C5H6N6/c6-3-2-4(9-1-8-2)11-5(7)10-3/h1H,(H5,6,7,8,9,10,11)

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InChIKey

InChI 1.03MSSXOMSJDRHRMC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.049H-purine-2,6-diamine
OpenEye OEToolkits 1.5.09H-purine-2,6-diamine

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PDB entries

Showing all 5 items

PDB-2b57:
Guanine Riboswitch C74U mutant bound to 2,6-diaminopurine

PDB-4feo:
Crystal structure of the AU25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with 2,6-diaminopurine

PDB-4fep:
Crystal structure of the A24U/U25A/A46G/C74U mutant xpt-pbuX guanine riboswitch aptamer domain in complex with 2,6-diaminopurine

PDB-4lcp:
Crytsal structure of NE0047 in complex with 2,6-diaminopurine

PDB-4lvz:
Structure of the THF riboswitch bound to 2,6-diaminopurine

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