SEQ2FUN

BioLiP

PDB CCD ID: J4K
Number of entries in BioLiP: 1
Chemical formula: C8 H7 Cl N4 O
InChI: InChI=1S/C8H7ClN4O/c9-6-1-3-7(4-2-6)14-5-8-10-12-13-11-8/h1-4H,5H2,(H,10,11,12,13)
InChIKey: LAEFYQOLGWVFTE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(OCc2[nH]nnn2)cc1
OpenEye OEToolkits 1.7.6c1cc(ccc1OCc2[nH]nnn2)Cl
Name:5-[(4-chloranylphenoxy)methyl]-1H-1,2,3,4-tetrazole
ChEMBL: CHEMBL1427817
ZINC: ZINC000004728044

Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).