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- ChemComp-JB8: 1~{H}-indol-6-ylboronic acid -

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Basic information

EntryDatabase: PDB chemical components / ID: JB8
NameName: 1~{H}-indol-6-ylboronic acid

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Chemical information

Composition
Formula: C8H8BNO2 / Number of atoms: 20 / Formula weight: 160.966 / Formal charge: 0
Others

6qou

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JB8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6QOU
History
Create componentFeb 13, 2019
Initial releaseFeb 26, 2020
External linksUniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / CompTox / Nikkaji / PubChem / 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

CACTVS 3.385OB(O)c1ccc2cc[nH]c2c1
OpenEye OEToolkits 2.0.7B(c1ccc2cc[nH]c2c1)(O)O

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SMILES CANONICAL

CACTVS 3.385OB(O)c1ccc2cc[nH]c2c1
OpenEye OEToolkits 2.0.7B(c1ccc2cc[nH]c2c1)(O)O

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InChI

InChI 1.03InChI=1S/C8H8BNO2/c11-9(12)7-2-1-6-3-4-10-8(6)5-7/h1-5,10-12H

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InChIKey

InChI 1.03ZVMHOIWRCCZGPZ-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6qou:
Crystal structure of TrmD, a tRNA-(N1G37) methyltransferase, from Mycobacterium abscessus in complex with Fragment 24 (Indole-6-boronic acid)

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