BioLiP

PDB

BioLiP

PDB CCD ID:

A1BZB

Number of entries in BioLiP:

Chemical formula:

C18 H17 Cl N2 O3 S

InChI:

InChI=1S/C18H17ClN2O3S/c1-13(2)21(25(22,23)17-8-4-6-15(19)10-17)16-7-3-5-14(9-16)18-11-20-12-24-18/h3-13H,1-2H3

InChIKey:

SFSATMOQALTAMV-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(C)N(c1cccc(c1)c2cnco2)S(=O)(=O)c3cccc(c3)Cl
CACTVS 3.385	CC(C)N(c1cccc(c1)c2ocnc2)[S](=O)(=O)c3cccc(Cl)c3
ACDLabs 14.52	Clc1cccc(c1)S(=O)(=O)N(c1cccc(c1)c1cnco1)C(C)C

Name:

3-chloro-N-[(3M)-3-(1,3-oxazol-5-yl)phenyl]-N-(propan-2-yl)benzene-1-sulfonamide

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).