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BioLiP

PDB CCD ID: ZTQ
Number of entries in BioLiP: 1
Chemical formula: C15 H14 O3
InChI: InChI=1S/C15H14O3/c1-11(15(16)17)18-14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,16,17)/t11-/m0/s1
InChIKey: FUPGQEMJIGUBGO-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(=O)O)Oc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 2.0.7C[C@@H](C(=O)O)Oc1ccc(cc1)c2ccccc2
CACTVS 3.385C[CH](Oc1ccc(cc1)c2ccccc2)C(O)=O
CACTVS 3.385C[C@H](Oc1ccc(cc1)c2ccccc2)C(O)=O
ACDLabs 12.01CC(Oc1ccc(cc1)c1ccccc1)C(=O)O
Name:(2S)-2-[([1,1'-biphenyl]-4-yl)oxy]propanoic acid
ZINC: ZINC000003063328
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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