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BioLiP

PDB CCD ID: Q2R
Number of entries in BioLiP: 4
Chemical formula: C15 H12 O4
InChI: InChI=1S/C15H12O4/c1-19-15(18)13-8-3-2-7-12(13)10-5-4-6-11(9-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKey: WUPZXYHQWDAHQT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6COC(=O)c1ccccc1c2cccc(c2)C(=O)O
CACTVS 3.385COC(=O)c1ccccc1c2cccc(c2)C(O)=O
Name:3-(2-methoxycarbonylphenyl)benzoic acid
ChEMBL: CHEMBL4163662
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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