BioLiP

PDB

BioLiP

PDB CCD ID:

WGL

Number of entries in BioLiP:

Chemical formula:

C12 H18 N2 O2 S

InChI:

InChI=1S/C12H18N2O2S/c1-2-17-12-13-10(15)8-11(16)14(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3

InChIKey:

NOSDCGFVVOLULR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CCSC1=NC(=O)CC(=O)N1C2CCCCC2
ACDLabs 12.01	CCSC1=NC(=O)CC(=O)N1C1CCCCC1

Name:

1-cyclohexyl-2-(ethylsulfanyl)pyrimidine-4,6(1H,5H)-dione

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).