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BioLiP

PDB CCD ID: TU5
Number of entries in BioLiP: 1
Chemical formula: C11 H10 F3 N3
InChI: InChI=1S/C11H10F3N3/c1-7-5-17(6-16-7)10-3-8(11(12,13)14)2-9(15)4-10/h2-6H,15H2,1H3
InChIKey: WWTGXYAJVXKEKL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cn(cn1)c2cc(cc(c2)N)C(F)(F)F
CACTVS 3.385Cc1cn(cn1)c2cc(N)cc(c2)C(F)(F)F
Name:3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)aniline
ChEMBL: CHEMBL5080162
ZINC: ZINC000084397771
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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