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BioLiP

PDB CCD ID: JBF
Number of entries in BioLiP: 6
Chemical formula: C15 H9 F N2 O3
InChI: InChI=1S/C15H9FN2O3/c16-12-7-2-1-6-11(12)14-17-13(18-21-14)9-4-3-5-10(8-9)15(19)20/h1-8H,(H,19,20)
InChIKey: OOUGLTULBSNHNF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2nc(no2)c3cccc(c3)C(=O)O)F
CACTVS 3.385OC(=O)c1cccc(c1)c2noc(n2)c3ccccc3F
Name:3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
ChEMBL: CHEMBL256997
DrugBank: DB05016
ZINC: ZINC000013831791
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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