SEQ2FUN

BioLiP

PDB CCD ID: S24
Number of entries in BioLiP: 1
Chemical formula: C7 H6 O4 S
InChI: InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11)
InChIKey: MFTAINZKTCOZPX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Sc1ccc(O)cc1O)O
CACTVS 3.341OC(=O)Sc1ccc(O)cc1O
OpenEye OEToolkits 1.5.0c1cc(c(cc1O)O)SC(=O)O
Name:S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
ZINC: ZINC000058650549
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).