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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 7EM
Number of entries in BioLiP: 2
Chemical formula: C22 H16 O3 S
InChI: InChI=1S/C22H16O3S/c23-17-7-1-14(2-8-17)20-13-21(15-3-9-18(24)10-4-15)26-22(20)16-5-11-19(25)12-6-16/h1-13,23-25H
InChIKey: PDYDEVVHZXJAQO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2sc(c3ccc(O)cc3)c(c2)c4ccc(O)cc4
OpenEye OEToolkits 2.0.6c1cc(ccc1c2cc(sc2c3ccc(cc3)O)c4ccc(cc4)O)O
ACDLabs 12.01Oc4ccc(c1sc(c(c1)c2ccc(O)cc2)c3ccc(cc3)O)cc4
Name:4,4',4''-(thiene-2,3,5-triyl)triphenol
ChEMBL: CHEMBL2332580
ZINC: ZINC000095586924

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).
  • 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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