BioLiP

PDB

BioLiP

PDB CCD ID:

56L

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2 S

InChI:

InChI=1S/C7H10N2O2S/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)

InChIKey:

QWVRNSPNBZGMRZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(C1C(NC(NC1=O)=S)=O)C
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC(C)C1C(=O)NC(=S)NC1=O

Name:

5-(propan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

ZINC:

ZINC000001471012

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).