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BioLiP Library

PDB CCD ID: YI6
Number of entries in BioLiP: 7
Chemical formula: C10 H12 O3
InChI: InChI=1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
InChIKey: ZVVWZNFSMIFGEP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCOc1ccc(cc1)CC(=O)O
CACTVS 3.385CCOc1ccc(CC(O)=O)cc1
Name:2-(4-ethoxyphenyl)ethanoic acid
ZINC: ZINC000000225417
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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