SEQ2FUN

BioLiP

PDB CCD ID: 71N
Number of entries in BioLiP: 1
Chemical formula: C8 H6 F3 N3
InChI: InChI=1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
InChIKey: CKEKFQLHCAZGSP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2[nH]c(nc2c1)C(F)(F)F
OpenEye OEToolkits 2.0.5c1cc2c(cc1N)nc([nH]2)C(F)(F)F
ACDLabs 12.01FC(F)(F)c2nc1c(cc(cc1)N)n2
Name:2-(trifluoromethyl)-1H-benzimidazol-5-amine
ChEMBL: CHEMBL1625689
ZINC: ZINC000004992561
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).