SEQ2FUN

BioLiP

PDB CCD ID: GEX
Number of entries in BioLiP: 1
Chemical formula: C11 H16 N2 S
InChI: InChI=1S/C11H16N2S/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: RXJURXTXLCOIDY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CSc1ccccc1N2CCNCC2
Name:1-(2-methylsulfanylphenyl)piperazine
ChEMBL: CHEMBL504293
ZINC: ZINC000002390002
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).