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BioLiP Library

PDB CCD ID: A1L04
Number of entries in BioLiP: 4
Chemical formula: C16 H9 Cl F3 N O3
InChI: InChI=1S/C16H9ClF3NO3/c17-9-3-1-8(2-4-9)13-14(24-21-15(13)16(18,19)20)11-6-5-10(22)7-12(11)23/h1-7,22-23H
InChIKey: BYNUBBWBGHJHNP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(F)F
OpenEye OEToolkits 2.0.7c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3O)O)Cl
Name:4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
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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