BioLiP

PDB

BioLiP

PDB CCD ID:

7CM

Number of entries in BioLiP:

Chemical formula:

C16 H14 Cl F N2 O3 S

InChI:

InChI=1S/C16H14ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)19-11-3-1-4-12(9-11)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2

InChIKey:

QRYMHOGHQXOWLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F
CACTVS 3.385	Fc1ccc(cc1Cl)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
ACDLabs 12.01	c2c(NS(=O)(c1ccc(c(c1)Cl)F)=O)cccc2N3CCCC3=O

Name:

3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide

ZINC:

ZINC000007726741

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).