SEQ2FUN

BioLiP

PDB CCD ID: F0Z
Number of entries in BioLiP: 6
Chemical formula: C10 H12 N2 S
InChI: InChI=1S/C10H12N2S/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)
InChIKey: DUHDUYRXLGSMLQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C2=NCCCN2)S
CACTVS 3.385Sc1ccccc1C2=NCCCN2
Name:2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol
ChEMBL: CHEMBL3974304
ZINC: ZINC000000168927
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).