BioLiP

PDB

BioLiP

PDB CCD ID:

HVQ

Number of entries in BioLiP:

Chemical formula:

C5 H8 N S

InChI:

InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1

InChIKey:

DUDAKCCDHRNMDJ-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	[NH3+]Cc1cscc1
OpenEye OEToolkits 2.0.6	c1cscc1C[NH3+]

Name:

thiophen-3-ylmethylazanium

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).