SEQ2FUN

BioLiP

PDB CCD ID: GS1
Number of entries in BioLiP: 14
Chemical formula: C6 H12 O5 S
InChI: InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKey: JUSMHIGDXPKSID-DVKNGEFBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(S)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)S)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@@H]1O
Name:1-thio-beta-D-glucopyranose;
1-thio-beta-D-glucose;
1-thio-D-glucose;
1-thio-glucose
ChEMBL: CHEMBL132376
DrugBank: DB03859
ZINC: ZINC000003815614
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).