BioLiP

PDB

BioLiP

PDB CCD ID:

7II

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1ccc(nc1)C(F)(F)F)[S@](=NC#N)(=O)C
CACTVS 3.385	C[CH](c1ccc(nc1)C(F)(F)F)[S](C)(=O)=NC#N
CACTVS 3.385	C[C@@H](c1ccc(nc1)C(F)(F)F)[S@@](C)(=O)=NC#N
OpenEye OEToolkits 2.0.7	CC(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, Lydia 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).