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BioLiP

PDB CCD ID: A1D73
Number of entries in BioLiP: 3
Chemical formula: C8 H6 Br N3
InChI: InChI=1S/C8H6BrN3/c9-7-5-11-12-8(7)6-1-3-10-4-2-6/h1-5H,(H,11,12)
InChIKey: LKKNQJJSEMQTHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnccc1c2c(c[nH]n2)Br
CACTVS 3.385Brc1c[nH]nc1c2ccncc2
Name:4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine
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).
  • 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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