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BioLiP

PDB CCD ID: J4Q
Number of entries in BioLiP: 8
Chemical formula: C8 H9 N3 O2 S2
InChI: InChI=1S/C8H9N3O2S2/c1-15(12,13)8-9-2-3-11(8)4-7-5-14-6-10-7/h2-3,5-6H,4H2,1H3
InChIKey: DWPGGNJRLYKHCD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[S](=O)(=O)c1nccn1Cc2cscn2
OpenEye OEToolkits 2.0.6CS(=O)(=O)c1nccn1Cc2cscn2
Name:4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole
ZINC: ZINC000096447797
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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