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BioLiP

PDB CCD ID: A1BFH
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O3
InChI: InChI=1S/C10H11NO3/c1-6-3-9-10(14-5-13-9)4-8(6)11-7(2)12/h3-4H,5H2,1-2H3,(H,11,12)
InChIKey: AQEGZDFRJZQYSE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0Cc1cc2c(cc1NC(=O)C)OCO2
ACDLabs 14.52
CACTVS 3.385		CC(=O)Nc1cc2OCOc2cc1C
Name:N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide
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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