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BioLiP

PDB CCD ID: VFB
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N4
InChI: InChI=1S/C8H6N4/c1-2-4-7-6(3-1)11-8-9-5-10-12(7)8/h1-5H,(H,9,10,11)/p+1
InChIKey: UHMYOSZMUIJCFW-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c3[n+]2nc[nH]3
CACTVS 3.370[nH]1cn[n+]2c1[nH]c3ccccc23
ACDLabs 12.01n3[n+]2c1ccccc1nc2nc3
Name:3,4-dihydro[1,2,4]triazolo[1,5-a][3,1]benzimidazol-9-ium
ZINC: ZINC000103559670
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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