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BioLiP

PDB CCD ID: XZE
Number of entries in BioLiP: 2
Chemical formula: C15 H10 N2 O
InChI: InChI=1S/C15H10N2O/c18-15(13-7-3-4-10-16-13)14-9-8-11-5-1-2-6-12(11)17-14/h1-10H
InChIKey: NCTFUSHEDTZFOU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=C(c1ccccn1)c2ccc3ccccc3n2
ACDLabs 12.01O=C(c1ccc2ccccc2n1)c1ccccn1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc(n2)C(=O)c3ccccn3
Name:(pyridin-2-yl)(quinolin-2-yl)methanone
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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