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BioLiP

PDB CCD ID: I1L
Number of entries in BioLiP: 2
Chemical formula: C3 H7 N6 O
InChI: InChI=1S/C3H6N6O/c4-5-3(10)1-2-6-8-9-7-2/h1,4H2,(H,5,10)(H,6,7,8,9)/p+1
InChIKey: TWKUAKLZOIABHJ-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(c1n[nH]nn1)C(=O)N[NH3+]
CACTVS 3.385[NH3+]NC(=O)Cc1n[nH]nn1
Name:[2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoylamino]azanium
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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