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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 7II
Number of entries in BioLiP: 18
Chemical formula: C10 H10 F3 N3 O S
InChI: InChI=1S/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3/t7-,18+/m0/s1
InChIKey: ZVQOOHYFBIDMTQ-ULCDLSAGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C
CACTVS 3.385C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N
CACTVS 3.385C[C@@H](c1ccc(nc1)C(F)(F)F)[S@@](C)(=O)=NC#N
OpenEye OEToolkits 2.0.7CC(c1ccc(nc1)C(F)(F)F)S(=NC#N)(=O)C
Name:Sulfoxaflor;
[methyl-oxidanylidene-[1-[6-(trifluoromethyl)pyridin-3-yl]ethyl]-$l^{6}-sulfanylidene]cyanamide

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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