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BioLiP

PDB CCD ID: R4Z
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O3
InChI: InChI=1S/C12H10O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h3-6H,2H2,1H3,(H,14,15)
InChIKey: XWFSVEPQDLTABF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCc1cc(C(O)=O)c2C=CC(=O)c2c1
OpenEye OEToolkits 2.0.7CCc1cc2c(c(c1)C(=O)O)C=CC2=O
Name:6-ethyl-1-oxidanylidene-indene-4-carboxylic acid
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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