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BioLiP

PDB CCD ID: JXB
Number of entries in BioLiP: 1
Chemical formula: C9 H11 Br N8
InChI: InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)
InChIKey: UOIUSKVGBLVETF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(c(n2)Br)CCCCN=[N+]=[N-])N
CACTVS 3.385Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12
Name:9-(4-azidobutyl)-8-bromanyl-purin-6-amine
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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