BioLiP

PDB

BioLiP

PDB CCD ID:

IGT

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2

InChI:

InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)

InChIKey:

DMYXWQPNMMVHBF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1=C(C(=O)N(C(=O)N1)C)N
CACTVS 3.385	CN1C(=O)NC(=C(N)C1=O)C

Name:

5-azanyl-3,6-dimethyl-1H-pyrimidine-2,4-dione

ChEMBL:

CHEMBL5175323

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).