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- ChemComp-7WB: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole -

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Basic information

EntryDatabase: PDB chemical components / ID: 7WB
NameName: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole / Synonyms: Camalexin

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Chemical information

Composition
Formula: C11H8N2S / Number of atoms: 22 / Formula weight: 200.26 / Formal charge: 0
Others

5a4y
PDB Unreleased entry

Type: non-polymer / PDB classification: HETAIN / Three letter code: 7WB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A4Y
History
Create componentJun 15, 2015
Initial releaseJun 29, 2016
Modify synonymsMar 1, 2021
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 3.385N1C=CSC1=C2C=Nc3ccccc23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=C3NC=CS3)C=N2

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SMILES CANONICAL

CACTVS 3.385N\1C=CSC\1=C/2C=Nc3ccccc/23
OpenEye OEToolkits 1.7.6c1ccc2c(c1)/C(=C/3\NC=CS3)/C=N2

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InChI

InChI 1.03InChI=1S/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,12H/b11-9+

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InChIKey

InChI 1.03IUBODNCSFJZWGR-PKNBQFBNSA-N

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PDB entries

Showing all 1 items

PDB-5a5k:
AtGSTF2 from Arabidopsis thaliana in complex with camalexin

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