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BioLiP

PDB CCD ID: WIH
Number of entries in BioLiP: 3
Chemical formula: C8 H8 N4 O
InChI: InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey: KZGGHPBTKGLWQL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COc1ccc(cc1)c2[nH]nnn2
ACDLabs 12.01COc1ccc(cc1)c1nnn[NH]1
Name:5-(4-methoxyphenyl)-1H-tetrazole
ChEMBL: CHEMBL43186
ZINC: ZINC000012360023
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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