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BioLiP

PDB CCD ID: 2O6
Number of entries in BioLiP: 1
Chemical formula: C8 H5 F3 N2 O
InChI: InChI=1S/C8H5F3N2O/c9-8(10,11)4-1-2-6-5(3-4)7(12)13-14-6/h1-3H,(H2,12,13)
InChIKey: LSKOZQNIAMSAIB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(cc1C(F)(F)F)c(no2)N
CACTVS 3.385Nc1noc2ccc(cc12)C(F)(F)F
ACDLabs 12.01FC(F)(F)c2cc1c(onc1N)cc2
Name:5-(trifluoromethyl)-1,2-benzoxazol-3-amine
ZINC: ZINC000039470954
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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