SEQ2FUN

BioLiP

PDB CCD ID: 56U
Number of entries in BioLiP: 1
Chemical formula: C8 H6 F2 N2
InChI: InChI=1S/C8H6F2N2/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H,(H,11,12)
InChIKey: PURNIHSRWGYONZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c1c(nc(C(F)F)n1)ccc2
OpenEye OEToolkits 1.9.2c1ccc2c(c1)[nH]c(n2)C(F)F
CACTVS 3.385FC(F)c1[nH]c2ccccc2n1
Name:2-(difluoromethyl)-1H-benzimidazole
ChEMBL: CHEMBL1502799
ZINC: ZINC000000286488
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).