BioLiP

PDB

BioLiP

PDB CCD ID:

0VY

Number of entries in BioLiP:

Chemical formula:

C5 H12 N4 O2 S

InChI:

InChI=1S/C5H12N4O2S/c6-5(8-12(7,10)11)9-3-1-2-4-9/h1-4H2,(H2,6,8)(H2,7,10,11)

InChIKey:

RHOZLXBMABFVBY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CCN(C1)/C(=N/S(=O)(=O)N)/N
ACDLabs 12.01	O=S(=O)(/N=C(\N)N1CCCC1)N
OpenEye OEToolkits 1.7.6	C1CCN(C1)C(=NS(=O)(=O)N)N
CACTVS 3.370	NC(=N[S](N)(=O)=O)N1CCCC1

Name:

N'-sulfamoylpyrrolidine-1-carboximidamide

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).