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BioLiP

PDB CCD ID: NY7
Number of entries in BioLiP: 4
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-7-3-4-9(14-2)8(5-7)12-10(13)6-11/h3-5H,6,11H2,1-2H3,(H,12,13)
InChIKey: SRFLDWOWAGQZAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccc(c(c1)NC(=O)CN)OC
ACDLabs 12.01N(c1cc(ccc1OC)C)C(CN)=O
CACTVS 3.385COc1ccc(C)cc1NC(=O)CN
Name:N-(2-methoxy-5-methylphenyl)glycinamide
ZINC: ZINC000004201706
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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