BioLiP

PDB

BioLiP

PDB CCD ID:

E4I

Number of entries in BioLiP:

Chemical formula:

C4 H7 N3 O2 S

InChI:

InChI=1S/C4H7N3O2S/c1-7-2-4(6-3-7)10(5,8)9/h2-3H,1H3,(H2,5,8,9)

InChIKey:

QBJSSOBNVYDCDQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cn1cc(nc1)S(=O)(=O)N
CACTVS 3.385	Cn1cnc(c1)[S](N)(=O)=O

Name:

1-methylimidazole-4-sulfonamide

ZINC:

ZINC000001038936

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).