BioLiP

PDB

BioLiP

PDB CCD ID:

MY6

Number of entries in BioLiP:

Chemical formula:

C6 H7 N5 O

InChI:

InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)

InChIKey:

FZWGECJQACGGTI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cn1cnc2N=C(N)NC(=O)c12
OpenEye OEToolkits 1.7.0	Cn1cnc2c1C(=O)NC(=N2)N
ACDLabs 12.01	O=C1c2c(N=C(N1)N)ncn2C

Name:

2-amino-7-methyl-1,7-dihydro-6H-purin-6-one

ZINC:

ZINC000008613011

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).