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BioLiP

PDB CCD ID: 3M4
Number of entries in BioLiP: 2
Chemical formula: C15 H13 N3 O2
InChI: InChI=1S/C15H13N3O2/c1-2-19-13-6-4-3-5-12(13)15-17-14(18-20-15)11-7-9-16-10-8-11/h3-10H,2H2,1H3
InChIKey: KGGKTXHZJKALQU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CCOc1ccccc1c2onc(n2)c3ccncc3
OpenEye OEToolkits 1.7.0CCOc1ccccc1c2nc(no2)c3ccncc3
ACDLabs 12.01n3ccc(c1nc(on1)c2ccccc2OCC)cc3
Name:4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyridine
ChEMBL: CHEMBL1581319
ZINC: ZINC000000466974
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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