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BioLiP

PDB CCD ID: WJD
Number of entries in BioLiP: 7
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-12-7-9(11)10-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)
InChIKey: LEQAQBFYCMENLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1ccccc1NC(COC)=O
CACTVS 3.385
OpenEye OEToolkits 2.0.7		COCC(=O)Nc1ccccc1
Name:2-methoxy-N-phenylacetamide
ZINC: ZINC000000047226
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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