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BioLiP

PDB CCD ID: WZY
Number of entries in BioLiP: 9
Chemical formula: C9 H12 N2 O2
InChI: InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
InChIKey: MAVJTZKUNOKGPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)NC(=O)CN
ACDLabs 12.01N(c1ccc(cc1)OC)C(CN)=O
CACTVS 3.385COc1ccc(NC(=O)CN)cc1
Name:N-(4-methoxyphenyl)glycinamide
ZINC: ZINC000001566885
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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