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BioLiP

PDB CCD ID: 9PO
Number of entries in BioLiP: 3
Chemical formula: C5 H5 N O
InChI: InChI=1S/C5H5NO/c7-6-4-2-1-3-5-6/h1-5H
InChIKey: ILVXOBCQQYKLDS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		[O-][n+]1ccccc1
OpenEye OEToolkits 1.7.0c1cc[n+](cc1)[O-]
Name:PYRIDINE-N-OXIDE
ChEMBL: CHEMBL3278446
ZINC: ZINC000000967324
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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