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BioLiP Library

PDB CCD ID: BV5
Number of entries in BioLiP: 1
Chemical formula: C15 H19 F3 N2 O4 S
InChI: InChI=1S/C15H19F3N2O4S/c16-15(17,18)24-12-3-1-2-4-13(12)25(22,23)20-14(21)6-5-11-7-9-19-10-8-11/h1-4,11,19H,5-10H2,(H,20,21)
InChIKey: GEYPQDLUWKGWHC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)Oc1ccccc1[S](=O)(=O)NC(=O)CCC2CCNCC2
ACDLabs 12.01FC(F)(F)Oc1ccccc1S(=O)(=O)NC(=O)CCC2CCNCC2
OpenEye OEToolkits 1.7.6c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)NC(=O)CCC2CCNCC2
Name:3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE
ZINC: ZINC000098208709
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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