BioLiP

PDB

BioLiP

PDB CCD ID:

0VW

Number of entries in BioLiP:

Chemical formula:

C4 H10 N4 O2 S

InChI:

InChI=1S/C4H10N4O2S/c5-11(9,10)8-4-6-2-1-3-7-4/h1-3H2,(H2,5,9,10)(H2,6,7,8)

InChIKey:

WLZUIFLLOQXTPI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C1CNC(=NS(=O)(=O)N)NC1
ACDLabs 12.01	O=S(=O)(/N=C1\NCCCN1)N
CACTVS 3.370	N[S](=O)(=O)N=C1NCCCN1

Name:

N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide

ZINC:

ZINC000095921355

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).