SEQ2FUN

BioLiP

PDB CCD ID: YCY
Number of entries in BioLiP: 4
Chemical formula: C13 H13 N O3 S
InChI: InChI=1S/C13H13NO3S/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKey: GXQBXHZUPPDPLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)S(=O)(=O)Nc2ccccc2
CACTVS 3.385COc1ccc(cc1)[S](=O)(=O)Nc2ccccc2
Name:4-methoxy-~{N}-phenyl-benzenesulfonamide
ChEMBL: CHEMBL182454
ZINC: ZINC000000361736
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).