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BioLiP

PDB CCD ID: 6DK
Number of entries in BioLiP: 5
Chemical formula: C15 H20 F3 N O3
InChI: InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)
InChIKey: DOVGAPNVSPZBAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O
CACTVS 3.385OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F
Name:9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide
ZINC: ZINC000584904690
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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