BioLiP

PDB

BioLiP

PDB CCD ID:

6UA

Number of entries in BioLiP:

Chemical formula:

C4 H5 N3 O2

InChI:

InChI=1S/C4H5N3O2/c5-2-1-3(8)7-4(9)6-2/h1H2,(H3,5,6,7,8,9)

InChIKey:

BLOCGUWRFAOSFW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C1C(=NC(=O)NC1=O)N
ACDLabs 12.01	O=C1NC(=O)N=C(N)C1
CACTVS 3.385	NC1=NC(=O)NC(=O)C1

Name:

6-aminopyrimidine-2,4(3H,5H)-dione

ZINC:

ZINC000004261768

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).