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BioLiP

PDB CCD ID: BWK
Number of entries in BioLiP: 1
Chemical formula: C4 H10 N6 O
InChI: InChI=1S/C4H8N6O/c1-10-3(7-8-9-10)2-4(11)6-5/h2,5H2,1H3,(H,6,11)/p+2
InChIKey: MVCFGOJWEMLOIP-UHFFFAOYSA-P
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nn[nH+]c1CC(=O)N[NH3+]
OpenEye OEToolkits 2.0.6Cn1c([nH+]nn1)CC(=O)N[NH3+]
Name:[2-(1-methyl-1,2,3,4-tetrazol-4-ium-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).
  • 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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