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BioLiP

PDB CCD ID: 36E
Number of entries in BioLiP: 3
Chemical formula: C8 H5 F3 N2
InChI: InChI=1S/C8H5F3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
InChIKey: MXFMPTXDHSDMTI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)[nH]c(n2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c2nc1ccccc1n2
CACTVS 3.370FC(F)(F)c1[nH]c2ccccc2n1
Name:2-(trifluoromethyl)-1H-benzimidazole
ChEMBL: CHEMBL55641
ZINC: ZINC000000073738
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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