BioLiP

PDB

BioLiP

PDB CCD ID:

K8L

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O S

InChI:

InChI=1S/C6H8N2OS/c1-5(9)8-3-6-2-7-4-10-6/h2,4H,3H2,1H3,(H,8,9)

InChIKey:

RJXVMUHIPJEEJM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NCc1cncs1
CACTVS 3.385	CC(=O)NCc1scnc1
ACDLabs 12.01	O=C(C)NCc1cncs1

Name:

N-[(1,3-thiazol-5-yl)methyl]acetamide

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).