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BioLiP

PDB CCD ID: IKY
Number of entries in BioLiP: 2
Chemical formula: C11 H7 F3 N2 O3
InChI: InChI=1S/C11H7F3N2O3/c12-11(13,14)7-4-2-1-3-6(7)10-15-8(5-19-10)9(17)16-18/h1-5,18H,(H,16,17)
InChIKey: CRHXDKPGVAVHNT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(c(c1)c2nc(co2)C(=O)NO)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1ccccc1c2nc(co2)C(=O)NO
CACTVS 3.370ONC(=O)c1coc(n1)c2ccccc2C(F)(F)F
Name:N-HYDROXY-2-[2-(TRIFLUOROMETHYL)PHENYL]-1,3-OXAZOLE-4-CARBOXAMIDE
ZINC: ZINC000095920811
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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