BioLiP

PDB

BioLiP

PDB CCD ID:

NYV

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3 O2 S

InChI:

InChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)

InChIKey:

DEJLCHRMKBBNPV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)n1cnc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.6	CC(C)n1cc(nc1)S(=O)(=O)N
ACDLabs 12.01	n1(cnc(S(N)(=O)=O)c1)C(C)C

Name:

1-(propan-2-yl)-1H-imidazole-4-sulfonamide

ZINC:

ZINC000083255308

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).