SEQ2FUN

BioLiP

PDB CCD ID: HTS
Number of entries in BioLiP: 2
Chemical formula: C6 H6 O S
InChI: InChI=1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
InChIKey: VMKYTRPNOVFCGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(c(ccc1)S)O
OpenEye OEToolkits 1.7.6c1ccc(c(c1)O)S
CACTVS 3.385Oc1ccccc1S
Name:2-MERCAPTOPHENOL;
2-HYDROXYTHIOPHENOL
ChEMBL: CHEMBL1233444
ZINC: ZINC000019597470
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).