BioLiP

PDB

BioLiP

PDB CCD ID:

M75

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2 S

InChI:

InChI=1S/C6H9N3O2S/c10-12(11,9-5-1-2-5)6-3-7-4-8-6/h3-5,9H,1-2H2,(H,7,8)

InChIKey:

JRINQCODSFQXLT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(nc[nH]1)S(=O)(=O)NC2CC2
CACTVS 3.385	O=[S](=O)(NC1CC1)c2c[nH]cn2

Name:

~{N}-cyclopropyl-1~{H}-imidazole-4-sulfonamide

ZINC:

ZINC000068591950

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).