SEQ2FUN

BioLiP

PDB CCD ID: 3UF
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N O3 S2
InChI: InChI=1S/C8H11NO3S2/c9-14(11,12)8-3-1-7(2-4-8)13-6-5-10/h1-4,10H,5-6H2,(H2,9,11,12)
InChIKey: LTXDVFFEVZJDGT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[S](=O)(=O)c1ccc(SCCO)cc1
OpenEye OEToolkits 1.9.2c1cc(ccc1SCCO)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(c1ccc(SCCO)cc1)N
Name:4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide
ChEMBL: CHEMBL106848
ZINC: ZINC000005570041
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).