BioLiP

PDB

BioLiP

PDB CCD ID:

SJK

Number of entries in BioLiP:

Chemical formula:

C9 H11 N3 O2 S2

InChI:

InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13)

InChIKey:

QRIGZEVZGUQHGF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CSC2=NC=C(C(=O)N21)C(=O)NCCS
CACTVS 3.385	SCCNC(=O)C1=CN=C2SCCN2C1=O

Name:

5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-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).