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BioLiP Library

PDB CCD ID: 8U1
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-8(12)11-7-9-3-5-10(13-2)6-4-9/h3-6H,7H2,1-2H3,(H,11,12)
InChIKey: VGCSNHYGZYURJQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(CNC(C)=O)cc1
OpenEye OEToolkits 2.0.6CC(=O)NCc1ccc(cc1)OC
ACDLabs 12.01N(C(C)=O)Cc1ccc(cc1)OC
Name:N-[(4-methoxyphenyl)methyl]acetamide
ZINC: ZINC000000060681
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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