BioLiP

PDB

BioLiP

PDB CCD ID:

R97

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 S

InChI:

InChI=1S/C10H10N2S/c1-8-7-13-10(12-8)6-9-4-2-3-5-11-9/h2-5,7H,6H2,1H3

InChIKey:

YKMZZWADKYKWAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1csc(Cc2ccccn2)n1
OpenEye OEToolkits 2.0.6	Cc1csc(n1)Cc2ccccn2
ACDLabs 12.01	C(c1ccccn1)c2nc(C)cs2

Name:

2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine

ZINC:

ZINC000039148305

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).