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BioLiP

PDB CCD ID: FFN
Number of entries in BioLiP: 6
Chemical formula: C13 H9 F N2 O S
InChI: InChI=1S/C13H9FN2OS/c1-7-15-12(17)11-10(6-18-13(11)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
InChIKey: PEYKEBUFADUZJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1
OpenEye OEToolkits 2.0.6CC1=Nc2c(c(cs2)c3ccc(cc3)F)C(=O)N1
Name:5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
ZINC: ZINC000020345596
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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