BioLiP

PDB

BioLiP

PDB CCD ID:

KUL

Number of entries in BioLiP:

Chemical formula:

C11 H10 F N O4 S

InChI:

InChI=1S/C11H10FNO4S/c1-18(16,17)7-2-3-8(12)9(6-7)13-10(14)4-5-11(13)15/h2-3,6H,4-5H2,1H3

InChIKey:

RISNMQBAJMCDFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F
CACTVS 3.385	C[S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O

Name:

1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione;
1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)

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).