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BioLiP

PDB CCD ID: 7JR
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N O2
InChI: InChI=1S/C12H11NO2/c1-13-8-10(7-11(14)12(13)15)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKey: NDVZUSAEFIBAFV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CN1C=C(C=C(C1=O)O)c2ccccc2
CACTVS 3.385CN1C=C(C=C(O)C1=O)c2ccccc2
Name:1-methyl-3-oxidanyl-5-phenyl-pyridin-2-one;
3-hydroxy-1-methyl-5-phenylpyridin-2-one
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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