SEQ2FUN

BioLiP

PDB CCD ID: A1BDK
Number of entries in BioLiP: 2
Chemical formula: C10 H13 F N2 O2 S
InChI: InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2
InChIKey: KKDHOKJGLSITHN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1cc(ccc1F)S(=O)(=O)N2CCNCC2
CACTVS 3.385Fc1ccc(cc1)[S](=O)(=O)N2CCNCC2
ACDLabs 14.52O=S(=O)(c1ccc(F)cc1)N1CCNCC1
Name:1-(4-fluorobenzene-1-sulfonyl)piperazine

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).