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BioLiP

PDB CCD ID: VAJ
Number of entries in BioLiP: 4
Chemical formula: C14 H10 O4
InChI: InChI=1S/C14H10O4/c15-13(16)10-6-4-9(5-7-10)11-2-1-3-12(8-11)14(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKey: GSYIVQLTSZFJRV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)c2cccc(c2)C(O)=O
ACDLabs 12.01c2(ccc(c1cc(ccc1)C(=O)O)cc2)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(cc(c1)C(=O)O)c2ccc(cc2)C(=O)O
Name:[1,1'-biphenyl]-3,4'-dicarboxylic acid
ZINC: ZINC000035785283
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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