BioLiP

PDB

BioLiP

PDB CCD ID:

A1EM8

Number of entries in BioLiP:

Chemical formula:

C4 H6 N2 S

InChI:

InChI=1S/C4H6N2S/c5-1-4-2-6-3-7-4/h2-3H,1,5H2

InChIKey:

XDNQVUAKCAPBIG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c(scn1)CN
CACTVS 3.385	NCc1scnc1

Name:

1,3-thiazol-5-ylmethanamine

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).