SEQ2FUN

BioLiP

PDB CCD ID: YPN
Number of entries in BioLiP: 2
Chemical formula: C7 H8 Cl N O S
InChI: InChI=1S/C7H8ClNOS/c8-6-1-2-7(9-5-6)11-4-3-10/h1-2,5,10H,3-4H2
InChIKey: KLOJLJIHCJJDCT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(ncc1Cl)SCCO
CACTVS 3.385OCCSc1ccc(Cl)cn1
Name:2-[(5-CHLORO-2-PYRIDYL)SULFANYL]ETHANOL
ZINC: ZINC000002170051
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).