BioLiP

PDB

BioLiP

PDB CCD ID:

DE5

Number of entries in BioLiP:

Chemical formula:

C5 H7 N3 O S

InChI:

InChI=1S/C5H7N3OS/c6-3-4(9)8-5-7-1-2-10-5/h1-2H,3,6H2,(H,7,8,9)

InChIKey:

JVRRHVNPKGSGSX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCC(=O)Nc1sccn1
OpenEye OEToolkits 2.0.6	c1csc(n1)NC(=O)CN

Name:

2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide

ZINC:

ZINC000019093156

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).