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BioLiP

PDB CCD ID: WBB
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11-13-2/h3-6H,7H2,1-2H3,(H,11,12)
InChIKey: MUOXRMCJWFCWQP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CONC(=O)Cc1ccccc1C
OpenEye OEToolkits 2.0.7Cc1ccccc1CC(=O)NOC
ACDLabs 12.01O=C(Cc1ccccc1C)NOC
Name:N-methoxy-2-(2-methylphenyl)acetamide
ZINC: ZINC000040017415
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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