SEQ2FUN

BioLiP

PDB CCD ID: 2XH
Number of entries in BioLiP: 2
Chemical formula: C10 H8 S
InChI: InChI=1S/C10H8S/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKey: SEXOVMIIVBKGGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Sc1cccc2ccccc12
ACDLabs 12.01Sc2cccc1ccccc12
OpenEye OEToolkits 1.7.6c1ccc2c(c1)cccc2S
Name:naphthalene-1-thiol
ChEMBL: CHEMBL4094874
ZINC: ZINC000001846581
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).