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BioLiP

PDB CCD ID: WHM
Number of entries in BioLiP: 2
Chemical formula: C10 H12 F N O2 S
InChI: InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
InChIKey: RVDJKNWVTKGWCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2(CN1CCCS1(=O)=O)cccc(c2)F
OpenEye OEToolkits 2.0.7c1cc(cc(c1)F)CN2CCCS2(=O)=O
CACTVS 3.385Fc1cccc(CN2CCC[S]2(=O)=O)c1
Name:2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
ZINC: ZINC000071965017
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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