BioLiP

PDB

BioLiP

PDB CCD ID:

XCZ

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O2 S

InChI:

InChI=1S/C5H7N3O2S/c1-4-2-3-7-5(8-4)11(6,9)10/h2-3H,1H3,(H2,6,9,10)

InChIKey:

WXLNVTKRXIXEJI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccnc(n1)[S](N)(=O)=O
OpenEye OEToolkits 1.7.6	Cc1ccnc(n1)S(=O)(=O)N

Name:

1.7.6 4-methylpyrimidine-2-sulfonamide

ZINC:

ZINC000039053917

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).