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BioLiP

PDB CCD ID: Y0C
Number of entries in BioLiP: 2
Chemical formula: C9 H8 F N O S
InChI: InChI=1S/C9H8FNOS/c10-7-4-2-1-3-6(7)9-11-8(12)5-13-9/h1-4,9H,5H2,(H,11,12)/t9-/m0/s1
InChIKey: USKNAFOXSLXIOT-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C2NC(=O)CS2)F
CACTVS 3.385Fc1ccccc1[CH]2NC(=O)CS2
CACTVS 3.385Fc1ccccc1[C@H]2NC(=O)CS2
OpenEye OEToolkits 2.0.7c1ccc(c(c1)[C@H]2NC(=O)CS2)F
ACDLabs 12.01O=C1NC(SC1)c1ccccc1F
Name:(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-4-one
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)(download the PDF file).
  • 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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