SEQ2FUN

BioLiP

PDB CCD ID: A65
Number of entries in BioLiP: 1
Chemical formula: C6 H9 N O S3
InChI: InChI=1S/C6H9NOS3/c1-9-5-4(3-8)6(10-2)11-7-5/h8H,3H2,1-2H3
InChIKey: SIFVTEYXNRZCMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CSc1c(c(sn1)SC)CO
CACTVS 3.385CSc1snc(SC)c1CO
Name:[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]methanol
ChEMBL: CHEMBL1891657
ZINC: ZINC000000105809
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).