BioLiP

PDB

BioLiP

PDB CCD ID:

QIJ

Number of entries in BioLiP:

Chemical formula:

C7 H7 N5 O2

InChI:

InChI=1S/C7H7N5O2/c1-12-3(13)2-9-4-5(8)10-7(14)11-6(4)12/h2H,1H3,(H3,8,10,11,14)

InChIKey:

IIYMXMJOUCDTSZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CN1C(=O)C=NC2=C1NC(=O)N=C2N
ACDLabs 12.01	O=C1NC2=C(N=CC(=O)N2C)C(N)=N1

Name:

4-amino-8-methylpteridine-2,7(1H,8H)-dione

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).