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BioLiP

PDB CCD ID: VRH
Number of entries in BioLiP: 2
Chemical formula: C11 H15 N O4
InChI: InChI=1S/C11H15NO4/c1-8-4-5-9(10(6-8)14-2)16-7-11(13)12-15-3/h4-6H,7H2,1-3H3,(H,12,13)
InChIKey: YEBZKMWVAQUTLC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CONC(=O)COc1ccc(C)cc1OC
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)OC)OCC(=O)NOC
ACDLabs 12.01COc1cc(C)ccc1OCC(=O)NOC
Name:N-methoxy-2-(2-methoxy-4-methylphenoxy)acetamide
ZINC: ZINC000025821504
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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