SEQ2FUN

BioLiP

PDB CCD ID: PMS
Number of entries in BioLiP: 0
Chemical formula: C7 H8 O3 S
InChI: InChI=1S/C7H8O3S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,8,9,10)
InChIKey: NIXKBAZVOQAHGC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CS(=O)(=O)O
ACDLabs 11.02O=S(=O)(O)Cc1ccccc1
CACTVS 3.352O[S](=O)(=O)Cc1ccccc1
Name:phenylmethanesulfonic acid
ChEMBL: CHEMBL1171433
DrugBank: DB03297
ZINC: ZINC000001593155
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).