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- ChemComp-AMT: 2-AMINOTHIAZOLE -

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Basic information

EntryDatabase: PDB chemical components / ID: AMT
NameName: 2-aminothiazole

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Chemical information

Composition
Formula: C3H4N2S / Number of atoms: 10 / Formula weight: 100.142 / Formal charge: 0
Others

1aev

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AMT / Model coordinates PDB-ID: 1AEV
History
Create componentJul 8, 1999
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

ACDLabs 10.04n1ccsc1N
CACTVS 3.341Nc1sccn1
OpenEye OEToolkits 1.5.0c1csc(n1)N

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SMILES CANONICAL

CACTVS 3.341Nc1sccn1
OpenEye OEToolkits 1.5.0c1csc(n1)N

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InChI

InChI 1.03InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)

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InChIKey

InChI 1.03RAIPHJJURHTUIC-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041,3-thiazol-2-amine
OpenEye OEToolkits 1.5.01,3-thiazol-2-amine

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PDB entries

Showing all 2 items

PDB-1aev:
INTRODUCTION OF NOVEL SUBSTRATE OXIDATION INTO CYTOCHROME C PEROXIDASE BY CAVITY COMPLEMENTATION: OXIDATION OF 2-AMINOTHIAZOLE AND COVALENT MODIFICATION OF THE ENZYME (2-AMINOTHIAZOLE)

PDB-7h92:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z104472798 (CHIKV_MacB-x1353)

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