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BioLiP

PDB CCD ID: DN6
Number of entries in BioLiP: 10
Chemical formula: C15 H10 F3 N5 O
InChI: InChI=1S/C15H10F3N5O/c16-15(17,18)11-5-1-4-10(7-11)14(24)19-12-6-2-3-9(8-12)13-20-22-23-21-13/h1-8H,(H,19,24)(H,20,21,22,23)
InChIKey: DVYVZPGHRBVPAG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3
CACTVS 3.370FC(F)(F)c1cccc(c1)C(=O)Nc2cccc(c2)c3[nH]nnn3
OpenEye OEToolkits 1.7.6c1cc(cc(c1)NC(=O)c2cccc(c2)C(F)(F)F)c3[nH]nnn3
Name:N-[3-(1H-tetrazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
ChEMBL: CHEMBL2031551
ZINC: ZINC000006699658
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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