BioLiP

PDB

BioLiP

PDB CCD ID:

BQH

Number of entries in BioLiP:

Chemical formula:

C10 H14 N4 O2 S

InChI:

InChI=1S/C10H14N4O2S/c1-6(15)8-5-17-10(13-8)14-9(16)7-4-11-2-3-12-7/h5,7,11-12H,2-4H2,1H3,(H,13,14,16)/t7-/m0/s1

InChIKey:

AESXBAWWRWZMPF-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2
CACTVS 3.385	CC(=O)c1csc(NC(=O)[C@@H]2CNCCN2)n1
CACTVS 3.385	CC(=O)c1csc(NC(=O)[CH]2CNCCN2)n1
OpenEye OEToolkits 2.0.6	CC(=O)c1csc(n1)NC(=O)C2CNCCN2

Name:

(2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide

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).