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BioLiP

PDB CCD ID: L5Q
Number of entries in BioLiP: 1
Chemical formula: C7 H7 F3 N2 O2
InChI: InChI=1S/C7H7F3N2O2/c1-4-2-5(12-14-4)6(13)11-3-7(8,9)10/h2H,3H2,1H3,(H,11,13)
InChIKey: XCSPVFNSKGQNKR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1onc(c1)C(=O)NCC(F)(F)F
OpenEye OEToolkits 2.0.7Cc1cc(no1)C(=O)NCC(F)(F)F
Name:5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
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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