BioLiP

PDB

BioLiP

PDB CCD ID:

ZQA

Number of entries in BioLiP:

Chemical formula:

C8 H9 N3 S

InChI:

InChI=1S/C8H9N3S/c1-2-6-4-12-8(11-6)7-3-9-5-10-7/h3-5H,2H2,1H3,(H,9,10)

InChIKey:

RXFWINHPQUVOEC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCc1csc(n1)c2[nH]cnc2
ACDLabs 12.01	CCc1csc(n1)c1[NH]cnc1
OpenEye OEToolkits 2.0.7	CCc1csc(n1)c2cnc[nH]2

Name:

4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole

ZINC:

ZINC000098095630

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).