SEQ2FUN

BioLiP

PDB CCD ID: A1H53
Number of entries in BioLiP: 3
Chemical formula: C13 H15 B N2 O4 S
InChI: InChI=1S/C13H15BN2O4S/c15-21(19,20)13-7-5-12(6-8-13)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2,(H2,15,19,20)
InChIKey: SWSJCBDUGXEGLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(c1ccc(cc1)CNc2ccc(cc2)S(=O)(=O)N)(O)O
CACTVS 3.385N[S](=O)(=O)c1ccc(NCc2ccc(cc2)B(O)O)cc1
Name:[4-[[(4-sulfamoylphenyl)amino]methyl]phenyl]boronic acid
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).