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BioLiP

PDB CCD ID: P60
Number of entries in BioLiP: 1
Chemical formula: C10 H6 F N O3
InChI: InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
InChIKey: COYYCXFHTJQGGF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(c(c1)c2c(nco2)C(=O)O)F
CACTVS 3.385OC(=O)c1ncoc1c2ccccc2F
ACDLabs 12.01c1cc(c(cc1)F)c2c(C(O)=O)nco2
Name:5-(2-fluorophenyl)-1,3-oxazole-4-carboxylic acid
ZINC: ZINC000016159701
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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