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BioLiP

PDB CCD ID: A1H40
Number of entries in BioLiP: 6
Chemical formula: C8 H6 N4 O2
InChI: InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey: MIERACSHCALJOM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(c1)c2[nH]nnn2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C(=O)O)c2[nH]nnn2
Name:3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid
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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