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- ChemComp-VMT: 2-(4-bromophenyl)ethanamine -

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Basic information

EntryDatabase: PDB chemical components / ID: VMT
NameName: 2-(4-bromophenyl)ethanamine / Synonyms: 4-Bromophenethylamine

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Chemical information

Composition
Formula: C8H10BrN / Number of atoms: 20 / Formula weight: 200.076 / Formal charge: 0
Others

8wc9

Type: non-polymer / PDB classification: HETAIN / Three letter code: VMT / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8WC9
History
Create componentSep 14, 2023
Initial releaseDec 27, 2023
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 3.385NCCc1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCN)Br

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SMILES CANONICAL

CACTVS 3.385NCCc1ccc(Br)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCN)Br

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InChI

InChI 1.06InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2

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InChIKey

InChI 1.06ZSZCXAOQVBEPME-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-8wc4:
Cryo-EM structure of the ZH8651-bound mTAAR1-Gs complex

PDB-8wc8:
Cryo-EM structure of the ZH8651-bound hTAAR1-Gs complex

PDB-8wc9:
Cryo-EM structure of the ZH8651-bound mTAAR1-Gq complex

PDB-9ewa:
The sTeLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with 4-Bromophenethylamine

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