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BioLiP

PDB CCD ID: S5A
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c16-14-8-6-13(7-9-14)12-4-1-11(2-5-12)3-10-15(17)18/h1-2,4-9,16H,3,10H2,(H,17,18)
InChIKey: RPNLKEFLRMFPEN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1CCC(=O)O)c2ccc(cc2)O
CACTVS 3.385OC(=O)CCc1ccc(cc1)c2ccc(O)cc2
Name:3-[4-(4-hydroxyphenyl)phenyl]propanoic acid
ZINC: ZINC000000339196
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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