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BioLiP

PDB CCD ID: EH2
Number of entries in BioLiP: 1
Chemical formula: C13 H10 O2 S
InChI: InChI=1S/C13H10O2S/c14-13(15)12-6-2-1-4-10(12)7-8-11-5-3-9-16-11/h1-9H,(H,14,15)/b8-7+
InChIKey: ISSJZCAENPGUEW-BQYQJAHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)/C=C/c2cccs2)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1C=Cc2sccc2
CACTVS 3.385OC(=O)c1ccccc1\C=C\c2sccc2
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C=Cc2cccs2)C(=O)O
Name:2-[(~{E})-2-thiophen-2-ylethenyl]benzoic acid
ZINC: ZINC000000173532
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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