SEQ2FUN

BioLiP

PDB CCD ID: 8KW
Number of entries in BioLiP: 1
Chemical formula: C15 H16 O3
InChI: InChI=1S/C15H16O3/c1-18-14-9-11(8-13(16)10-14)6-7-12-4-2-3-5-15(12)17/h2-5,8-10,16-17H,6-7H2,1H3
InChIKey: IUMFLNFLJUUODE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(O)cc(CCc2ccccc2O)c1
OpenEye OEToolkits 2.0.6COc1cc(cc(c1)O)CCc2ccccc2O
Name:3-[2-(2-hydroxyphenyl)ethyl]-5-methoxy-phenol
ChEMBL: CHEMBL228126
ZINC: ZINC000004098623

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).