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- ChemComp-SAN: SULFANILAMIDE -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: SAN
NameName: sulfanilamide
Commentantibiotic*YM

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Chemical information

Composition
Formula: C6H8N2O2S / Number of atoms: 19 / Formula weight: 172.205 / Formal charge: 0
Others

1aj0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SAN / Model coordinates PDB-ID: 1AJ0
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / HMDB / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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=S(=O)(c1ccc(N)cc1)N
CACTVS 3.341Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1N)S(=O)(=O)N

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SMILES CANONICAL

CACTVS 3.341Nc1ccc(cc1)[S](N)(=O)=O
OpenEye OEToolkits 1.5.0c1cc(ccc1N)S(=O)(=O)N

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InChI

InChI 1.03InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)

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InChIKey

InChI 1.03FDDDEECHVMSUSB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.044-aminobenzenesulfonamide
OpenEye OEToolkits 1.5.04-aminobenzenesulfonamide

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PDB entries

Showing all 6 items

PDB-1aj0:
CRYSTAL STRUCTURE OF A TERNARY COMPLEX OF E. COLI DIHYDROPTEROATE SYNTHASE

PDB-4coq:
The complex of alpha-Carbonic anhydrase from Thermovibrio ammonificans with inhibitor sulfanilamide.

PDB-4f92:
Brr2 Helicase Region S1087L

PDB-4f93:
Brr2 Helicase Region S1087L, Mg-ATP

PDB-6rl9:
Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide

PDB-8bcb:
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 34

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