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BioLiP Library

PDB CCD ID: A1ABF
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N2 O
InChI: InChI=1S/C12H8N2O/c13-9-10-4-6-11(7-5-10)15-12-3-1-2-8-14-12/h1-8H
InChIKey: ZVQAOOXNUVKQML-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N#Cc1ccc(cc1)Oc1ccccn1
OpenEye OEToolkits 2.0.7c1ccnc(c1)Oc2ccc(cc2)C#N
CACTVS 3.385N#Cc1ccc(Oc2ccccn2)cc1
Name:4-[(pyridin-2-yl)oxy]benzonitrile
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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