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- ChemComp-BRJ: 2-BROMOETHANOL -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: BRJ
NameName: 2-bromoethanol

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Chemical information

Composition
Formula: C2H5BrO / Number of atoms: 9 / Formula weight: 124.965 / Formal charge: 0
Others

1xvg

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BRJ / Model coordinates PDB-ID: 1XVG
History
Create componentNov 3, 2004
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 10.04BrCCO
CACTVS 3.341OCCBr
OpenEye OEToolkits 1.5.0C(CBr)O

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SMILES CANONICAL

CACTVS 3.341OCCBr
OpenEye OEToolkits 1.5.0C(CBr)O

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InChI

InChI 1.03InChI=1S/C2H5BrO/c3-1-2-4/h4H,1-2H2

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InChIKey

InChI 1.03LDLCZOVUSADOIV-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-bromoethanol
OpenEye OEToolkits 1.5.02-bromoethanol

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PDB entries

Showing all 6 items

PDB-1xvg:
soluble methane monooxygenase hydroxylase: bromoethanol soaked structure

PDB-2f4g:
Triclinic cross-linked lysozyme soaked in bromoethanol 1M

PDB-2f5m:
Cross-linked barnase soaked in bromo-ethanol

PDB-4hfc:
The GLIC pentameric Ligand-Gated Ion Channel F14'A ethanol-sensitive mutant complexed to 2-bromo-ethanol

PDB-5sxu:
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a desensitized state

PDB-5sxv:
X-ray structure of 2-bromoethanol bound to a pentameric ligand gated ion channel (ELIC) in a resting state

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