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- ChemComp-HH8: 4-bromanyl-1,8-naphthyridine -

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Basic information

EntryDatabase: PDB chemical components / ID: HH8
NameName: 4-bromanyl-1,8-naphthyridine

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Chemical information

Composition
Formula: C8H5BrN2 / Number of atoms: 16 / Formula weight: 209.043 / Formal charge: 0
Others

6q4c

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HH8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6Q4C
History
Create componentDec 6, 2018
Initial releaseMar 20, 2019
External linksUniChem / ChemSpider / ChemicalBook / CompTox / 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 3.385Brc1ccnc2ncccc12
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2nc1)Br

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SMILES CANONICAL

CACTVS 3.385Brc1ccnc2ncccc12
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2nc1)Br

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InChI

InChI 1.03InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H

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InChIKey

InChI 1.03QYXNSNJTMIEAPG-UHFFFAOYSA-N

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PDB entries

Showing all 6 items

PDB-5rjj:
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00023833

PDB-5s42:
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with NCL-00023833

PDB-6q4c:
CDK2 in complex with FragLite16

PDB-7qu7:
ATAD2 in complex with FragLite16

PDB-7zaj:
BRD4 in complex with FragLite16

PDB-9esy:
CDK2-cyclin A in complex with FragLite 16

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