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BioLiP

PDB CCD ID: E24
Number of entries in BioLiP: 6
Chemical formula: C15 H10 Cl2 F3 N O
InChI: InChI=1S/C15H10Cl2F3NO/c16-10-6-5-9(13(17)7-10)8-21-14(22)11-3-1-2-4-12(11)15(18,19)20/h1-7H,8H2,(H,21,22)
InChIKey: JPTXMUZNWHRWNU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(c(c1)C(=O)NCc2ccc(cc2Cl)Cl)C(F)(F)F
ACDLabs 12.01Clc1c(ccc(c1)Cl)CNC(=O)c2c(cccc2)C(F)(F)F
CACTVS 3.385FC(F)(F)c1ccccc1C(=O)NCc2ccc(Cl)cc2Cl
Name:N-(2,4-dichlorobenzyl)-2-(trifluoromethyl)benzamide
ZINC: ZINC000006284606
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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