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BioLiP

PDB CCD ID: 5O5
Number of entries in BioLiP: 1
Chemical formula: C8 H6 Cl2 N4 O
InChI: InChI=1S/C8H6Cl2N4O/c9-6-2-1-5(3-7(6)10)15-4-8-11-13-14-12-8/h1-3H,4H2,(H,11,12,13,14)
InChIKey: ZOGKJMQMVBATST-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(OCc2[nH]nnn2)cc1Cl
OpenEye OEToolkits 2.0.4c1cc(c(cc1OCc2[nH]nnn2)Cl)Cl
Name:5-[[3,4-bis(chloranyl)phenoxy]methyl]-1~{H}-1,2,3,4-tetrazole
ZINC: ZINC000041291718
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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