BioLiP

PDB

BioLiP

PDB CCD ID:

25T

Number of entries in BioLiP:

Chemical formula:

C4 H7 N2 S

InChI:

InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)/p+1

InChIKey:

GUABFMPMKJGSBQ-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.341	Cc1sc(N)[nH+]c1
ACDLabs 10.04	s1c(c[nH+]c1N)C
OpenEye OEToolkits 1.5.0	Cc1c[nH+]c(s1)N

Name:

2-AMINO-5-METHYLTHIAZOLE

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).