SEQ2FUN

BioLiP

PDB CCD ID: A8K
Number of entries in BioLiP: 3
Chemical formula: C12 H10 O2 S
InChI: InChI=1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(Sc2ccc(O)cc2)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1O)Sc2ccc(cc2)O
Name:4-(4-hydroxyphenyl)sulfanylphenol
ChEMBL: CHEMBL3183502
ZINC: ZINC000000136154
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).