BioLiP

PDB

BioLiP

PDB CCD ID:

A1LXN

Number of entries in BioLiP:

Chemical formula:

C6 H7 N5 O

InChI:

InChI=1S/C6H7N5O/c1-2-8-3-4(9-2)10-6(7)11-5(3)12/h1H3,(H4,7,8,9,10,11,12)

InChIKey:

DJGMEMUXTWZGIC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1[nH]c2c(n1)C(=O)NC(=N2)N
CACTVS 3.385	Cc1[nH]c2N=C(N)NC(=O)c2n1

Name:

2-azanyl-8-methyl-1,9-dihydropurin-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).