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BioLiP Library

PDB CCD ID: 4R9
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12)
InChIKey: UPHXPXYRKPCXHK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385ONC(=O)CCCc1ccccc1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCCC(=O)NO
Name:N-oxidanyl-4-phenyl-butanamide
ChEMBL: CHEMBL55895
ZINC: ZINC000004962622
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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