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BioLiP

PDB CCD ID: ZZR
Number of entries in BioLiP: 0
Chemical formula: C3 H6 N7
InChI: InChI=1S/C3H5N7/c4-1-6-3-8-7-2(5)10(3)9-1/h(H5,4,5,6,7,8,9)/p+1
InChIKey: JFMHNXXJHXPFLE-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1[nH][n+]2c(N)n[nH]c2n1
ACDLabs 10.04n1c(N)n[n+]2c(nnc12)N
OpenEye OEToolkits 1.6.1c1([nH][n+]2c(n[nH]c2n1)N)N
Name:3,6-diamino-1,5-dihydro[1,2,4]triazolo[4,3-b][1,2,4]triazol-4-ium
ZINC: ZINC000103563006
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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