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BioLiP

PDB CCD ID: LEB
Number of entries in BioLiP: 2
Chemical formula: C16 H14 Br F3 N2
InChI: InChI=1S/C16H14BrF3N2/c1-21-8-10-2-5-14-13(6-10)12-4-3-11(17)7-15(12)22(14)9-16(18,19)20/h2-7,21H,8-9H2,1H3
InChIKey: CSLYGNIMFCLAJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCc1ccc2n(CC(F)(F)F)c3cc(Br)ccc3c2c1
OpenEye OEToolkits 2.0.7CNCc1ccc2c(c1)c3ccc(cc3n2CC(F)(F)F)Br
Name:1-[7-bromanyl-9-[2,2,2-tris(fluoranyl)ethyl]carbazol-3-yl]-~{N}-methyl-methanamine
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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