SEQ2FUN

BioLiP

PDB CCD ID: SDQ
Number of entries in BioLiP: 1
Chemical formula: C7 H8 S
InChI: InChI=1S/C7H8S/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey: UENWRTRMUIOCKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CS
CACTVS 3.385SCc1ccccc1
Name:phenylmethanethiol
ChEMBL: CHEMBL1224557
ZINC: ZINC000003873647
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).