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BioLiP

PDB CCD ID: A1A34
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c1-9-3-5-10(6-4-9)7-12-11(13)8-14-2/h3-6H,7-8H2,1-2H3,(H,12,13)
InChIKey: LZKKUVDCFSJGNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1ccc(cc1)CNC(=O)COC
ACDLabs 14.52
CACTVS 3.385		COCC(=O)NCc1ccc(C)cc1
Name:2-methoxy-N-[(4-methylphenyl)methyl]acetamide
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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