SEQ2FUN

BioLiP

PDB CCD ID: TZE
Number of entries in BioLiP: 18
Chemical formula: C6 H9 N O S
InChI: InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
InChIKey: BKAWJIRCKVUVED-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c(scn1)CCO
CACTVS 3.341Cc1ncsc1CCO
ACDLabs 10.04OCCc1scnc1C
Name:2-(4-METHYL-THIAZOL-5-YL)-ETHANOL;
4-METHYL-5-HYDROXYETHYLTHIAZOLE
ChEMBL: CHEMBL1236482
DrugBank: DB02969
ZINC: ZINC000000160790
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).