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BioLiP

PDB CCD ID: 0FS
Number of entries in BioLiP: 1
Chemical formula: C11 H6 F3 N O2 S
InChI: InChI=1S/C11H6F3NO2S/c12-11(13,14)7-3-1-2-6(4-7)5-8-9(16)15-10(17)18-8/h1-5H,(H,15,16,17)/b8-5-
InChIKey: NGJLOFCOEOHFKQ-YVMONPNESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370FC(F)(F)c1cccc(C=C2SC(=O)NC2=O)c1
ACDLabs 12.01O=C1C(\SC(=O)N1)=C\c2cccc(c2)C(F)(F)F
OpenEye OEToolkits 1.7.6c1cc(cc(c1)C(F)(F)F)C=C2C(=O)NC(=O)S2
OpenEye OEToolkits 1.7.6c1cc(cc(c1)C(F)(F)F)/C=C\2/C(=O)NC(=O)S2
CACTVS 3.370FC(F)(F)c1cccc(\C=C\2SC(=O)NC\2=O)c1
Name:(5Z)-5-[3-(trifluoromethyl)benzylidene]-1,3-thiazolidine-2,4-dione
ChEMBL: CHEMBL183906
ZINC: ZINC000012576047
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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