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BioLiP

PDB CCD ID: S0Y
Number of entries in BioLiP: 1
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c1-3-11-10(7-13(14)15)9-6-8(2)4-5-12(9)16-11/h1,4-6H,7H2,2H3,(H,14,15)
InChIKey: AXEQPNQJJUVTJZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O
CACTVS 3.385Cc1ccc2oc(C#C)c(CC(O)=O)c2c1
Name:2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
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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