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BioLiP

PDB CCD ID: U7E
Number of entries in BioLiP: 1
Chemical formula: C7 H7 N5 O2 S
InChI: InChI=1S/C7H7N5O2S/c8-15(13,14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H2,8,13,14)(H,9,10,11,12)
InChIKey: BIOBAIFFWOWFPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1cccc(c1)c2[nH]nnn2
OpenEye OEToolkits 1.7.6c1cc(cc(c1)S(=O)(=O)N)c2[nH]nnn2
Name:5-(3-SULFAMOYLPHENYL)-1H-1,2,3,4-TETRAZOL-1-IDE
ZINC: ZINC000095221676
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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