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BioLiP

PDB CCD ID: XIX
Number of entries in BioLiP: 1
Chemical formula: C2 H5 N5
InChI: InChI=1S/C2H5N5/c3-1-5-2(4)7-6-1/h(H5,3,4,5,6,7)
InChIKey: PKWIYNIDEDLDCJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Nc1[nH]nc(N)n1
OpenEye OEToolkits 1.6.1c1([nH]nc(n1)N)N
ACDLabs 10.04n1c(nnc1N)N
Name:3,5-DIAMINO-1H-[1,2,4]TRIAZOLE
ChEMBL: CHEMBL56973
ZINC: ZINC000004118774
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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