SEQ2FUN

BioLiP

PDB CCD ID: H2C
Number of entries in BioLiP: 2
Chemical formula: C13 H10 F N O3 S2
InChI: InChI=1S/C13H10FNO3S2/c14-10-3-1-9(2-4-10)7-15-11-5-6-19-13(11)12(16)8-20(15,17)18/h1-6H,7-8H2
InChIKey: CZWDYEYEBHIIQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Fc1ccc(CN2c3ccsc3C(=O)C[S]2(=O)=O)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CN2c3ccsc3C(=O)CS2(=O)=O)F
Name:1-[(4-fluorophenyl)methyl]-2,2-bis(oxidanylidene)thieno[3,2-c][1,2]thiazin-4-one
ZINC: ZINC000021365332
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).