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BioLiP Library

PDB CCD ID: 5YA
Number of entries in BioLiP: 9
Chemical formula: C17 H13 N O2
InChI: InChI=1S/C17H13NO2/c19-17(18-20)14-10-8-13(9-11-14)16-7-3-5-12-4-1-2-6-15(12)16/h1-11,20H,(H,18,19)
InChIKey: PKQVYJOPUCLLCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)cccc2c3ccc(cc3)C(=O)NO
CACTVS 3.385ONC(=O)c1ccc(cc1)c2cccc3ccccc23
Name:4-naphthalen-1-yl-~{N}-oxidanyl-benzamide
ChEMBL: CHEMBL156887
ZINC: ZINC000027646659
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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