SEQ2FUN

BioLiP

PDB CCD ID: WLP
Number of entries in BioLiP: 1
Chemical formula: C6 H5 Cl S
InChI: InChI=1S/C6H5ClS/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey: PWOBDMNCYMQTCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cccc(c1Cl)S
CACTVS 3.385Sc1ccccc1Cl
OpenEye OEToolkits 2.0.7c1ccc(c(c1)S)Cl
Name:2-chlorobenzene-1-thiol
ChEMBL: CHEMBL3560357
ZINC: ZINC000000404801
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).