SEQ2FUN

BioLiP

PDB CCD ID: 1A7
Number of entries in BioLiP: 1
Chemical formula: C9 H6 F N O S
InChI: InChI=1S/C9H6FNOS/c10-7-4-2-1-3-6(7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
InChIKey: WPBUAOKGWQBCMU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)C2=CSC(=O)N2)F
ACDLabs 12.01O=C2SC=C(c1c(F)cccc1)N2
CACTVS 3.370Fc1ccccc1C2=CSC(=O)N2
Name:4-(2-fluorophenyl)-1,3-thiazol-2(3H)-one
ChEMBL: CHEMBL3409981
ZINC: ZINC000034669942
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).