BioLiP

PDB

BioLiP

PDB CCD ID:

TMT

Number of entries in BioLiP:

Chemical formula:

C6 H10 N S

InChI:

InChI=1S/C6H10NS/c1-5-4-8-6(2)7(5)3/h4H,1-3H3/q+1

InChIKey:

UHOYCVRPRYFLFR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	Cc1scc(C)[n+]1C
OpenEye OEToolkits 1.5.0	Cc1csc([n+]1C)C
ACDLabs 10.04	s1cc([n+](c1C)C)C

Name:

2,3,4-TRIMETHYL-1,3-THIAZOLE

ZINC:

ZINC000000160217

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).