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BioLiP Library

PDB CCD ID: 7EQ
Number of entries in BioLiP: 2
Chemical formula: C16 H10 F2 O3 S
InChI: InChI=1S/C16H10F2O3S/c17-13-7-9(19)1-3-11(13)15-5-6-16(22(15)21)12-4-2-10(20)8-14(12)18/h1-8,19-20H
InChIKey: GMLSANCLAZBGAQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1O)F)C2=CC=C(S2=O)c3ccc(cc3F)O
CACTVS 3.385Oc1ccc(c(F)c1)C2=CC=C(c3ccc(O)cc3F)[S]2=O
ACDLabs 12.01Oc1ccc(c(c1)F)C=2S(C(=CC=2)c3c(F)cc(O)cc3)=O
Name:2,5-bis(2-fluoro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one
ZINC: ZINC000584905372
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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