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- ChemComp-AHN: N-[2-(1H-IMIDAZOL-4-YL)ETHYL]ACETAMIDE -

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Basic information

EntryDatabase: PDB chemical components / ID: AHN
NameName: N-[2-(1H-imidazol-4-yl)ethyl]acetamide / Synonyms: N-ACETYLHISTAMINE

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Chemical information

Composition
Formula: C7H11N3O / Number of atoms: 22 / Formula weight: 153.182 / Formal charge: 0
Others

2afw

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AHN / Model coordinates PDB-ID: 2AFW
History
Create componentJul 29, 2005
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
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

ACDLabs 10.04O=C(NCCc1ncnc1)C
CACTVS 3.341CC(=O)NCCc1c[nH]cn1
OpenEye OEToolkits 1.5.0CC(=O)NCCc1c[nH]cn1

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SMILES CANONICAL

CACTVS 3.341CC(=O)NCCc1c[nH]cn1
OpenEye OEToolkits 1.5.0CC(=O)NCCc1c[nH]cn1

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InChI

InChI 1.03InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)

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InChIKey

InChI 1.03XJWPISBUKWZALE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04N-[2-(1H-imidazol-4-yl)ethyl]acetamide
OpenEye OEToolkits 1.5.0N-[2-(1H-imidazol-4-yl)ethyl]ethanamide

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PDB entries

Showing all 4 items

PDB-2afw:
Crystal structure of human glutaminyl cyclase in complex with N-acetylhistamine

PDB-3pb8:
Crystal structure of the catalytic domain of human Golgi-resident glutaminyl cyclase in complex with N-acetylhistamine

PDB-3tw1:
Structure of Rtt106-AHN

PDB-7d1e:
Crystal structure of Bacteroides thetaiotaomicron glutaminyl cyclase bound to N-acetylhistamine

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