SEQ2FUN

BioLiP

PDB CCD ID: PMF
Number of entries in BioLiP: 3
Chemical formula: C7 H7 F O2 S
InChI: InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey: YBYRMVIVWMBXKQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CS(=O)(=O)F
CACTVS 3.385F[S](=O)(=O)Cc1ccccc1
ACDLabs 14.52O=S(F)(=O)Cc1ccccc1
Name:phenylmethylsulfonyl fluoride;
PMSF
ChEMBL: CHEMBL190503
ZINC: ZINC000008220691
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).