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BioLiP

PDB CCD ID: 6J5
Number of entries in BioLiP: 2
Chemical formula: C8 H7 Cl N4 O
InChI: InChI=1S/C8H7ClN4O/c9-6-3-1-2-4-7(6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey: QXXWYYZZLHSBJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OCc2[nH]nnn2)Cl
CACTVS 3.385Clc1ccccc1OCc2[nH]nnn2
Name:5-[(2-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole
ChEMBL: CHEMBL1878328
ZINC: ZINC000004728181
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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