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BioLiP

PDB CCD ID: N5W
Number of entries in BioLiP: 2
Chemical formula: C17 H13 F3 N2
InChI: InChI=1S/C17H13F3N2/c18-17(19,20)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-22-10-9-21-12-22/h1-10,12H,11H2
InChIKey: ZGVRGKQQDLAUKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccc(cc1)c2ccc(Cn3ccnc3)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1Cn2ccnc2)c3ccc(cc3)C(F)(F)F
Name:1-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazole
ChEMBL: CHEMBL504098
ZINC: ZINC000040829165
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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