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BioLiP Library

PDB CCD ID: EFX
Number of entries in BioLiP: 4
Chemical formula: C15 H12 O4
InChI: InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17)
InChIKey: CJWQBLCGSMIQJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC(=O)c1cccc(c1)c2cccc(c2)C(O)=O
OpenEye OEToolkits 2.0.6COC(=O)c1cccc(c1)c2cccc(c2)C(=O)O
Name:3-(3-methoxycarbonylphenyl)benzoic acid
ChEMBL: CHEMBL4163232
ZINC: ZINC000016947615
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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