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- ChemComp-HUH: 1~{H}-1,2,3-triazole -

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Basic information

EntryDatabase: PDB chemical components / ID: HUH
NameName: 1~{H}-1,2,3-triazole

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Chemical information

Composition
Formula: C2H3N3 / Number of atoms: 8 / Formula weight: 69.065 / Formal charge: 0
Others

6qag

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HUH / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QAG
History
Create componentDec 19, 2018
Initial releaseMar 27, 2019
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 3.385[nH]1ccnn1
OpenEye OEToolkits 2.0.6c1cnn[nH]1

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SMILES CANONICAL

CACTVS 3.385[nH]1ccnn1
OpenEye OEToolkits 2.0.6c1cnn[nH]1

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InChI

InChI 1.03InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)

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InChIKey

InChI 1.03QWENRTYMTSOGBR-UHFFFAOYSA-N

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PDB entries

Showing all 3 items

PDB-5s75:
XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a

PDB-6qag:
ERK2 mini-fragment binding

PDB-7h7y:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1198386795 (CHIKV_MacB-x1103)

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