BioLiP

PDB

BioLiP

PDB CCD ID:

WVD

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2 S

InChI:

InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)

InChIKey:

CAIRNMNSCHTAFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ncsc1C(=O)N2CCNC(=O)C2
OpenEye OEToolkits 2.0.7	Cc1c(scn1)C(=O)N2CCNC(=O)C2
ACDLabs 12.01	C2NC(=O)CN(C(c1c(C)ncs1)=O)C2

Name:

4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one

ZINC:

ZINC000046738855

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).