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BioLiP

PDB CCD ID: BRG
Number of entries in BioLiP: 1
Chemical formula: C5 H4 Br N5 O
InChI: InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChIKey: CRYCZDRIXVHNQB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=Nc2nc(Br)[nH]c2C(=O)N1
ACDLabs 10.04O=C2NC(=Nc1nc(Br)nc12)N
OpenEye OEToolkits 1.5.0c12c(nc([nH]1)Br)N=C(NC2=O)N
Name:8-BROMOGUANINE
ZINC: ZINC000001511379
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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