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BioLiP

PDB CCD ID: A1H8P
Number of entries in BioLiP: 3
Chemical formula: C6 H4 Br N3
InChI: InChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
InChIKey: DEFSPWZHYXXHLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc2c(c1Br)nc[nH]2
CACTVS 3.385Brc1ccnc2[nH]cnc12
Name:7-bromanyl-3~{H}-imidazo[4,5-b]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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