SEQ2FUN

BioLiP

PDB CCD ID: RE2
Number of entries in BioLiP: 2
Chemical formula: C14 H14 O3
InChI: InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2
InChIKey: HITJFUSPLYBJPE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1CCc2cc(cc(c2)O)O)O
ACDLabs 10.04Oc1cc(cc(O)c1)CCc2ccc(O)cc2
CACTVS 3.341Oc1ccc(CCc2cc(O)cc(O)c2)cc1
Name:5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol;
Dihydroresveratrol
ChEMBL: CHEMBL111234
DrugBank: DB08466
ZINC: ZINC000000899123
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).