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BioLiP Library

PDB CCD ID: O7R
Number of entries in BioLiP: 2
Chemical formula: C10 H10 O2
InChI: InChI=1S/C10H10O2/c1-7(11)8-2-3-10-9(6-8)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKey: MMVUJVASBDVNGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)c1ccc2OCCc2c1
OpenEye OEToolkits 2.0.7CC(=O)c1ccc2c(c1)CCO2
Name:1-(2,3-dihydro-1-benzofuran-5-yl)ethanone
ZINC: ZINC000004027271
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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