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BioLiP

PDB CCD ID: T50
Number of entries in BioLiP: 1
Chemical formula: C21 H14 F4 N2
InChI: InChI=1S/C21H14F4N2/c1-12-5-2-10-18-20(12)26-21(19-16(24)8-4-9-17(19)25)27(18)11-13-14(22)6-3-7-15(13)23/h2-10H,11H2,1H3
InChIKey: JIYRSPUMGRIYBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1cccc2n(Cc3c(F)cccc3F)c(nc12)c4c(F)cccc4F
ACDLabs 10.04Fc1cccc(F)c1Cn2c4cccc(c4nc2c3c(F)cccc3F)C
OpenEye OEToolkits 1.5.0Cc1cccc2c1nc(n2Cc3c(cccc3F)F)c4c(cccc4F)F
Name:1-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-4-METHYL-1H-BENZIMIDAZOLE
ChEMBL: CHEMBL293961
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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