SEQ2FUN

BioLiP

PDB CCD ID: RZG
Number of entries in BioLiP: 6
Chemical formula: C8 H9 N O4 S
InChI: InChI=1S/C8H9NO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3,(H2,9,11,12)
InChIKey: XLOVNJUCAFIANM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1ccc(cc1)S(=O)(=O)N
CACTVS 3.385COC(=O)c1ccc(cc1)[S](N)(=O)=O
Name:methyl 4-sulfamoylbenzoate
ChEMBL: CHEMBL148763
ZINC: ZINC000000106888
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).