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BioLiP Library

PDB CCD ID: 7G5
Number of entries in BioLiP: 4
Chemical formula: C16 H14 O4 S
InChI: InChI=1S/C16H14O4S/c17-13-5-1-11(2-6-13)15-9-21(19,20)10-16(15)12-3-7-14(18)8-4-12/h1-8,17-18H,9-10H2
InChIKey: WTIPNJGTHSVJRN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C2=C(CS(=O)(=O)C2)c3ccc(cc3)O)O
CACTVS 3.385Oc1ccc(cc1)C2=C(C[S](=O)(=O)C2)c3ccc(O)cc3
ACDLabs 12.01c1cc(O)ccc1C=2CS(CC=2c3ccc(cc3)O)(=O)=O
Name:3,4-bis(4-hydroxyphenyl)-2,5-dihydro-1H-1lambda~6~-thiophene-1,1-dione
ZINC: ZINC000584905466
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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