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BioLiP

PDB CCD ID: KM6
Number of entries in BioLiP: 1
Chemical formula: C8 H5 Cl N2 O
InChI: InChI=1S/C8H5ClN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChIKey: AYUDXVQMLKGODN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2nnco2)Cl
CACTVS 3.385Clc1ccc(cc1)c2ocnn2
Name:2-(4-chlorophenyl)-1,3,4-oxadiazole
ZINC: ZINC000019942701
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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