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BioLiP Library

PDB CCD ID: 5EU
Number of entries in BioLiP: 2
Chemical formula: C17 H12 Cl2 O2 S
InChI: InChI=1S/C17H12Cl2O2S/c1-9-6-16(12-4-2-10(20)7-14(12)18)22-17(9)13-5-3-11(21)8-15(13)19/h2-8,20-21H,1H3
InChIKey: SYKYEGTTWRENSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Oc3ccc(c2cc(c(c1c(cc(cc1)O)Cl)s2)C)c(Cl)c3
OpenEye OEToolkits 1.9.2Cc1cc(sc1c2ccc(cc2Cl)O)c3ccc(cc3Cl)O
CACTVS 3.385Cc1cc(sc1c2ccc(O)cc2Cl)c3ccc(O)cc3Cl
Name:4,4'-(3-methylthiene-2,5-diyl)bis(3-chlorophenol)
ChEMBL: CHEMBL2332577
ZINC: ZINC000095587488
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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