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- ChemComp-YTZ: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide -

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Basic information

EntryDatabase: PDB chemical components / ID: YTZ
NameName: 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide / Synonyms: Sulfathiazole

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Chemical information

Composition
Formula: C9H9N3O2S2 / Number of atoms: 25 / Formula weight: 255.317 / Formal charge: 0
Others

3tye

Type: NON-POLYMER / PDB classification: HETAD / Three letter code: YTZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3TYE
History
Create componentOct 14, 2011
Modify synonymsFeb 26, 2013
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 12.01O=S(=O)(Nc1nccs1)c2ccc(N)cc2
CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)Nc2nccs2

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SMILES CANONICAL

CACTVS 3.370Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)Nc2nccs2

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InChI

InChI 1.03InChI=1S/C9H9N3O2S2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9/h1-6H,10H2,(H,11,12)

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InChIKey

InChI 1.03JNMRHUJNCSQMMB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.014-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide
OpenEye OEToolkits 1.7.64-azanyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

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PDB entries

Showing all 4 items

PDB-3tye:
Dihydropteroate Synthase in complex with DHP-STZ

PDB-4j7u:
Crystal structure of human sepiapterin reductase in complex with sulfathiazole

PDB-5cp3:
Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole

PDB-5g44:
Ligand complex of RORg LBD

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