BioLiP

PDB

BioLiP

PDB CCD ID:

8M2

Number of entries in BioLiP:

Chemical formula:

C5 H7 N2 S

InChI:

InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1

InChIKey:

JKCKRNYECSTMLV-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	NC(=[NH2+])c1cscc1
OpenEye OEToolkits 2.0.6	c1cscc1C(=[NH2+])N

Name:

[azanyl(thiophen-3-yl)methylidene]azanium

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).