BioLiP

PDB

BioLiP

PDB CCD ID:

XZ6

Number of entries in BioLiP:

Chemical formula:

C8 H9 N2 O2 S

InChI:

InChI=1S/C8H9N2O2S/c1-5-4-13-8-9-6(3-11)2-7(12)10(5)8/h4,11H,2-3H2,1H3

InChIKey:

SALJLBCFMZAZLL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=CSC2=[N]1C(=O)CC(=N2)CO
CACTVS 3.385	Cc1csc2N=C(CO)CC(=O)[n]12

Name:

7-(hydroxymethyl)-3-methyl-6~{H}-[1,3]thiazolo[3,2-a]pyrimidin-5-one

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).