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BioLiP

PDB CCD ID: 3OP
Number of entries in BioLiP: 1
Chemical formula: C10 H8 N2 O
InChI: InChI=1S/C10H8N2O/c1-3-9(7-11-5-1)13-10-4-2-6-12-8-10/h1-8H
InChIKey: VZUJTDYSGISPLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cnc1)Oc2cccnc2
CACTVS 3.385O(c1cccnc1)c2cccnc2
ACDLabs 12.01O(c1cnccc1)c2cccnc2
Name:3,3'-oxydipyridine
ChEMBL: CHEMBL117680
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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