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BioLiP

PDB CCD ID: 8SQ
Number of entries in BioLiP: 2
Chemical formula: C13 H13 N O2
InChI: InChI=1S/C13H13NO2/c15-13(14-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,16H,8-9H2,(H,14,15)
InChIKey: ISLPNEHHRRPVDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)CCc1cccc2ccccc12
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cccc2CCC(=O)NO
Name:3-naphthalen-1-yl-~{N}-oxidanyl-propanamide
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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