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BioLiP

PDB CCD ID: HH8
Number of entries in BioLiP: 7
Chemical formula: C8 H5 Br N2
InChI: InChI=1S/C8H5BrN2/c9-7-3-5-11-8-6(7)2-1-4-10-8/h1-5H
InChIKey: QYXNSNJTMIEAPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Brc1ccnc2ncccc12
OpenEye OEToolkits 2.0.6c1cc2c(ccnc2nc1)Br
Name:4-bromanyl-1,8-naphthyridine
ZINC: ZINC000036533204
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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