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BioLiP

PDB CCD ID: JYK
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Br N8
InChI: InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)
InChIKey: LMIPSSRPSGTFEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12
OpenEye OEToolkits 2.0.7c1nc(c2c(n1)n(c(n2)Br)CCN=[N+]=[N-])N
Name:9-(2-azidoethyl)-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)(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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