BioLiP

PDB

BioLiP

PDB CCD ID:

A1D92

Number of entries in BioLiP:

Chemical formula:

C3 H2 N4 O2 S

InChI:

InChI=1S/C3H2N4O2S/c4-7-2(9)1(8)5-6-3(7)10/h4H2

InChIKey:

XSWNQPGETDYNIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NN1C(=S)N=NC(=O)C1=O
OpenEye OEToolkits 2.0.7	C1(=O)C(=O)N(C(=S)N=N1)N

Name:

4-azanyl-3-sulfanylidene-1,2,4-triazine-5,6-dione

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).