SEQ2FUN

BioLiP

PDB CCD ID: FB1
Number of entries in BioLiP: 1
Chemical formula: C6 H6 Cl N O2 S
InChI: InChI=1S/C6H6ClNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKey: JCCBZCMSYUSCFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352N[S](=O)(=O)c1ccccc1Cl
OpenEye OEToolkits 1.6.1c1ccc(c(c1)S(=O)(=O)N)Cl
ACDLabs 10.04O=S(=O)(c1ccccc1Cl)N
Name:2-CHLOROBENZENESULFONAMIDE
ChEMBL: CHEMBL367983
ZINC: ZINC000000295271
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).