SEQ2FUN

BioLiP

PDB CCD ID: 8K2
Number of entries in BioLiP: 7
Chemical formula: C4 H4 Cl N O2 S2
InChI: InChI=1S/C4H4ClNO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H,(H2,6,7,8)
InChIKey: RKLQLYBJAZBSEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(sc1S(=O)(=O)N)Cl
CACTVS 3.385N[S](=O)(=O)c1sc(Cl)cc1
Name:5-chloranylthiophene-2-sulfonamide
ChEMBL: CHEMBL447118
ZINC: ZINC000001037567
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).