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- ChemComp-ES7: 1-methyl-1H-benzimidazol-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: ES7
NameName: 1-methyl-1H-benzimidazol-2-amine

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Chemical information

Composition
Formula: C8H9N3 / Number of atoms: 20 / Formula weight: 147.177 / Formal charge: 0
Others

3kqt

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: ES7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KQT
History
Create componentDec 4, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
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

CACTVS 3.352Cn1c(N)nc2ccccc12
OpenEye OEToolkits 1.7.0Cn1c2ccccc2nc1N

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SMILES CANONICAL

CACTVS 3.352Cn1c(N)nc2ccccc12
OpenEye OEToolkits 1.7.0Cn1c2ccccc2nc1N

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InChI

InChI 1.03InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10)

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InChIKey

InChI 1.03XDFZKQJLNGNJAN-UHFFFAOYSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 1.6.11-methylbenzimidazol-2-amine

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PDB entries

Showing all 3 items

PDB-3kqt:
Crystal Structure of hPNMT in Complex AdoHcy and 2-Amino-1-methylbenzimidazole

PDB-5qek:
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOZE000092b

PDB-7h8k:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56791928 (CHIKV_MacB-x1203)

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