BioLiP

PDB

BioLiP

PDB CCD ID:

IHF

Number of entries in BioLiP:

Chemical formula:

C6 H9 N3 O2

InChI:

InChI=1S/C6H9N3O2/c1-2-3-4(7)5(10)9-6(11)8-3/h2,7H2,1H3,(H2,8,9,10,11)

InChIKey:

NHAGBFNQWVFUGY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCC1=C(N)C(=O)NC(=O)N1
OpenEye OEToolkits 2.0.7	CCC1=C(C(=O)NC(=O)N1)N

Name:

5-azanyl-6-ethyl-1H-pyrimidine-2,4-dione

ChEMBL:

CHEMBL5180402

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).