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BioLiP Library

PDB CCD ID: 8Z6
Number of entries in BioLiP: 1
Chemical formula: C11 H10 O2 S
InChI: InChI=1S/C11H10O2S/c1-7-9(12)5-8(6-10(7)13)11-3-2-4-14-11/h2-4,8H,1,5-6H2
InChIKey: UVAAMJSQZGJWHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[CH2]=[C]1C(=O)C[CH](CC1=O)c2sccc2
OpenEye OEToolkits 2.0.6C=C1C(=O)CC(CC1=O)c2cccs2
Name:2-methylidene-5-thiophen-2-yl-cyclohexane-1,3-dione
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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