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BioLiP

PDB CCD ID: WUE
Number of entries in BioLiP: 2
Chemical formula: C25 H20 O3
InChI: InChI=1S/C25H20O3/c26-25(27)24(17-18-7-2-1-3-8-18)28-21-15-13-20(14-16-21)23-12-6-10-19-9-4-5-11-22(19)23/h1-16,24H,17H2,(H,26,27)/t24-/m0/s1
InChIKey: UDWUKDKWHIAYOW-DEOSSOPVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(C(=O)O)Oc2ccc(cc2)c3cccc4c3cccc4
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@@H](C(=O)O)Oc2ccc(cc2)c3cccc4c3cccc4
CACTVS 3.385OC(=O)[CH](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
CACTVS 3.385OC(=O)[C@H](Cc1ccccc1)Oc2ccc(cc2)c3cccc4ccccc34
Name:(2~{S})-2-(4-naphthalen-1-ylphenoxy)-3-phenyl-propanoic acid
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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