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BioLiP Library

PDB CCD ID: BWT
Number of entries in BioLiP: 1
Chemical formula: C8 H9 N6 O
InChI: InChI=1S/C8H8N6O/c9-10-8(15)6-3-1-5(2-4-6)7-11-13-14-12-7/h1-4H,9H2,(H,10,15)(H,11,12,13,14)/p+1
InChIKey: CCKNKILAFRZWPA-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.385[NH3+]NC(=O)c1ccc(cc1)c2n[nH]nn2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2n[nH]nn2)C(=O)N[NH3+]
Name:[[4-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]carbonylamino]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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