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BioLiP Library

PDB CCD ID: HEW
Number of entries in BioLiP: 7
Chemical formula: C5 H5 Br N2
InChI: InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKey: BAQKUNMKVAPWGU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cnc(cc1Br)N
CACTVS 3.385Nc1cc(Br)ccn1
Name:4-bromanylpyridin-2-amine
ZINC: ZINC000019862889
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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