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BioLiP

PDB CCD ID: T2Y
Number of entries in BioLiP: 1
Chemical formula: C10 H11 N O3
InChI: InChI=1S/C10H11NO3/c1-7(12)11-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey: YFWYIWVJRPDXQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)NCc1ccc2c(c1)OCO2
ACDLabs 12.01c2cc1c(OCO1)cc2CNC(C)=O
CACTVS 3.385CC(=O)NCc1ccc2OCOc2c1
Name:N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
ZINC: ZINC000001564847
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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