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- ChemComp-PZH: 1-(4-BROMOPHENYL)METHANAMINE -

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Basic information

EntryDatabase: PDB chemical components / ID: PZH
NameName: 1-(4-bromophenyl)methanamine / Synonyms: 4-BROMOBENZYLAMINE

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Chemical information

Composition
Formula: C7H8BrN / Number of atoms: 17 / Formula weight: 186.049 / Formal charge: 0
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PZH
History
Create componentJul 21, 2006
Modify descriptorJun 4, 2011
Initial releaseMar 19, 2014
Modify synonymsJun 5, 2020
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 10.04Brc1ccc(cc1)CN
CACTVS 3.341NCc1ccc(Br)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CN)Br

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SMILES CANONICAL

CACTVS 3.341NCc1ccc(Br)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CN)Br

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InChI

InChI 1.03InChI=1S/C7H8BrN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2

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InChIKey

InChI 1.03XRNVSPDQTPVECU-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.041-(4-bromophenyl)methanamine
OpenEye OEToolkits 1.5.0(4-bromophenyl)methanamine

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PDB entries

Showing all 3 items

PDB-4yrp:
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(4-BROMOPHENYL)METHANAMINE (Chem 707)

PDB-5yc6:
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6

PDB-5yc7:
The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH7.4

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