SEQ2FUN

BioLiP

PDB CCD ID: 717
Number of entries in BioLiP: 11
Chemical formula: C6 H6 N2 O S
InChI: InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h1-3,9H,4H2
InChIKey: GBUTVPCKMACQMG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352OCc1cn2ccsc2n1
OpenEye OEToolkits 1.7.0c1csc2n1cc(n2)CO
ACDLabs 11.02n1c(cn2ccsc12)CO
Name:imidazo[2,1-b][1,3]thiazol-6-ylmethanol
ChEMBL: CHEMBL1230528
ZINC: ZINC000004262675
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).