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BioLiP

PDB CCD ID: U95
Number of entries in BioLiP: 1
Chemical formula: C22 H14 Cl F3 N2 O4
InChI: InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-27-17)11-31-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30)
InChIKey: RSKUYRRDRPIYIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4[nH]ccc4)cc1
OpenEye OEToolkits 2.0.7c1cc(c(c(c1)Cl)c2c(c(on2)c3ccc[nH]3)COc4ccc(cc4)C(=O)O)C(F)(F)F
Name:4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-2-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
ChEMBL: CHEMBL5178739
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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