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BioLiP

PDB CCD ID: LNW
Number of entries in BioLiP: 2
Chemical formula: C16 H14 O4
InChI: InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20)
InChIKey: VAGQJIBPPQRDCK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2
OpenEye OEToolkits 2.0.4c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O
ACDLabs 12.01C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2
Name:2,2'-biphenyl-3,5-diyldiacetic acid
ChEMBL: CHEMBL3808465
ZINC: ZINC000584905621
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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