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- ChemComp-HEW: 4-bromanylpyridin-2-amine -

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Basic information

EntryDatabase: PDB chemical components / ID: HEW
NameName: 4-bromanylpyridin-2-amine

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Chemical information

Composition
Formula: C5H5BrN2 / Number of atoms: 13 / Formula weight: 173.011 / Formal charge: 0
Others

6q3f

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HEW / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q3F
History
Create componentDec 4, 2018
Initial releaseMar 20, 2019
External linksUniChem / ChemSpider / ChemicalBook / CompTox / Nikkaji / PubChem / PubChem_TPharma / 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 3.385Nc1cc(Br)ccn1
OpenEye OEToolkits 2.0.6c1cnc(cc1Br)N

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SMILES CANONICAL

CACTVS 3.385Nc1cc(Br)ccn1
OpenEye OEToolkits 2.0.6c1cnc(cc1Br)N

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InChI

InChI 1.03InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)

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InChIKey

InChI 1.03BAQKUNMKVAPWGU-UHFFFAOYSA-N

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PDB entries

Showing all 5 items

PDB-6q3f:
CDK2 in complex with FragLite2

PDB-7h7v:
Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with NCL-00023823 (CHIKV_MacB-x1075)

PDB-7oog:
Plasmodium falciparum Hsp70-x chaperone nucleotide binding domain in complex with NCL-00023823

PDB-7za6:
BRD4 in complex with FragLite4

PDB-9et9:
CDK2-cyclin A in complex with FragLite 4

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