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BioLiP

PDB CCD ID: BXE
Number of entries in BioLiP: 1
Chemical formula: C4 H9 N6 O
InChI: InChI=1S/C4H8N6O/c5-6-4(11)2-1-3-7-9-10-8-3/h1-2,5H2,(H,6,11)(H,7,8,9,10)/p+1
InChIKey: YTOFZWXGVLOWNC-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CC(=O)N[NH3+])c1n[nH]nn1
CACTVS 3.385[NH3+]NC(=O)CCc1n[nH]nn1
Name:[3-(2~{H}-1,2,3,4-tetrazol-5-yl)propanoylamino]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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