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BioLiP

PDB CCD ID: M0F
Number of entries in BioLiP: 1
Chemical formula: C16 H12 O4
InChI: InChI=1S/C16H12O4/c17-13-5-6-14-12(9-20-15(14)8-13)7-10-1-3-11(4-2-10)16(18)19/h1-6,8-9,17H,7H2,(H,18,19)
InChIKey: AVYRIDIODQDKPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(Cc2coc3cc(O)ccc23)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1Cc2coc3c2ccc(c3)O)C(=O)O
Name:4-((6-hydroxybenzofuran-3-yl)methyl)benzoic 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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