SEQ2FUN

BioLiP

PDB CCD ID: EIQ
Number of entries in BioLiP: 4
Chemical formula: C18 H16 N2 O2 S
InChI: InChI=1S/C18H16N2O2S/c21-23(22,18-4-2-1-3-5-18)20-17-8-6-15(7-9-17)14-16-10-12-19-13-11-16/h1-13,20H,14H2
InChIKey: CFLHYDJOEWYNKS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)Cc3ccncc3
CACTVS 3.385O=[S](=O)(Nc1ccc(Cc2ccncc2)cc1)c3ccccc3
Name:~{N}-[4-(pyridin-4-ylmethyl)phenyl]benzenesulfonamide
ZINC: ZINC000005260276
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).