SEQ2FUN

BioLiP

PDB CCD ID: A1BDX
Number of entries in BioLiP: 2
Chemical formula: C9 H8 O2
InChI: InChI=1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,10H,6H2
InChIKey: XSLXZYDPOMAXTM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc2c(cco2)cc1CO
ACDLabs 14.52OCc1cc2ccoc2cc1
CACTVS 3.385OCc1ccc2occc2c1
Name:(1-benzofuran-5-yl)methanol
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).