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BioLiP Library

PDB CCD ID: 8FO
Number of entries in BioLiP: 2
Chemical formula: C18 H16 F4 O2
InChI: InChI=1S/C18H16F4O2/c1-3-13(17(23)24)11-6-7-14(15(8-11)18(20,21)22)12-5-4-10(2)16(19)9-12/h4-9,13H,3H2,1-2H3,(H,23,24)/t13-/m1/s1
InChIKey: IZMCUINTVDMYCG-CYBMUJFWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC[CH](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F
OpenEye OEToolkits 2.0.7CCC(c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O
OpenEye OEToolkits 2.0.7CC[C@H](c1ccc(c(c1)C(F)(F)F)c2ccc(c(c2)F)C)C(=O)O
CACTVS 3.385CC[C@@H](C(O)=O)c1ccc(c2ccc(C)c(F)c2)c(c1)C(F)(F)F
Name:(2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic 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)(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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