BioLiP

PDB

BioLiP

PDB CCD ID:

UAN

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O

InChI:

InChI=1S/C7H9N5O/c1-8-7-10-5-4(6(13)11-7)9-3-12(5)2/h3H,1-2H3,(H2,8,10,11,13)

InChIKey:

VUUPVSDSPZJFFN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CNC1=Nc2c(ncn2C)C(=O)N1
CACTVS 3.385	CNC1=Nc2n(C)cnc2C(=O)N1

Name:

9-METHYL-2-(METHYLAMINO)-1H-PURIN-6-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).