BioLiP

PDB

BioLiP

PDB CCD ID:

29H

Number of entries in BioLiP:

Chemical formula:

C6 H5 N5 O

InChI:

InChI=1S/C6H5N5O/c7-6-10-4-3(5(12)11-6)1-8-2-9-4/h1-2H,(H3,7,8,9,10,11,12)

InChIKey:

HHOGMIYMABYION-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC1=Nc2ncncc2C(=O)N1
ACDLabs 12.01	O=C1c2cncnc2N=C(N)N1
OpenEye OEToolkits 1.7.6	c1c2c(ncn1)N=C(NC2=O)N

Name:

2-aminopyrimido[4,5-d]pyrimidin-4(3H)-one

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).