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BioLiP

PDB CCD ID: A1IEC
Number of entries in BioLiP: 6
Chemical formula: C7 H5 N5
InChI: InChI=1S/C7H5N5/c1-2-12-6-5(10-4-11-6)3-9-7(12)8-1/h1-4H,(H,10,11)
InChIKey: DFRVZUMYUNINCB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn2c3c(cnc2n1)nc[nH]3
CACTVS 3.385[nH]1cnc2cnc3nccn3c12
Name:N,2,3-etheno-2-aminopurine;
1~{H}-imidazo[2,1-b]purine
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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