BioLiP

PDB

BioLiP

PDB CCD ID:

K4Y

Number of entries in BioLiP:

Chemical formula:

C11 H12 N4 O3 S

InChI:

InChI=1S/C11H12N4O3S/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,14,15)

InChIKey:

WMPXPUYPYQKQCX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(N[S](=O)(=O)c2ccc(N)cc2)ncn1
OpenEye OEToolkits 2.0.6	COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)N
ACDLabs 12.01	COc2ncnc(NS(c1ccc(cc1)N)(=O)=O)c2

Name:

4-amino-N-(6-methoxypyrimidin-4-yl)benzene-1-sulfonamide

ChEMBL:

CHEMBL462990

ZINC:

ZINC000000049137

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).