BioLiP

PDB

BioLiP

PDB CCD ID:

7CO

Number of entries in BioLiP:

Chemical formula:

C16 H14 F2 N2 O3 S

InChI:

InChI=1S/C16H14F2N2O3S/c17-13-6-2-7-14(18)16(13)24(22,23)19-11-4-1-5-12(10-11)20-9-3-8-15(20)21/h1-2,4-7,10,19H,3,8-9H2

InChIKey:

URBCFGISMUKQSQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3c(cccc3F)F
CACTVS 3.385	Fc1cccc(F)c1[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
ACDLabs 12.01	c2c(NS(=O)(c1c(F)cccc1F)=O)cccc2N3CCCC3=O

Name:

2,6-difluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

ZINC:

ZINC000007726750

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).