SEQ2FUN

BioLiP

PDB CCD ID: OR4
Number of entries in BioLiP: 2
Chemical formula: C17 H14 O4
InChI: InChI=1S/C17H14O4/c18-17(19)8-13-11-21-16-9-14(6-7-15(13)16)20-10-12-4-2-1-3-5-12/h1-7,9,11H,8,10H2,(H,18,19)
InChIKey: VJEZHKLENQLLAZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O
CACTVS 3.385OC(=O)Cc1coc2cc(OCc3ccccc3)ccc12
ACDLabs 12.01C(O)(Cc1c3c(oc1)cc(OCc2ccccc2)cc3)=O
Name:[6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • 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).