BioLiP

PDB

BioLiP

PDB CCD ID:

44W

Number of entries in BioLiP:

Chemical formula:

C7 H9 N5 O

InChI:

InChI=1S/C7H9N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H2,1H3,(H4,8,9,11,12,13)

InChIKey:

ZGSZMKMOKGLFHK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C1C=2N=C(CNC=2N=C(N)N1)C
CACTVS 3.385	CC1=NC2=C(NC1)N=C(N)NC2=O
OpenEye OEToolkits 1.9.2	CC1=NC2=C(NC1)N=C(NC2=O)N

Name:

2-amino-6-methyl-7,8-dihydropteridin-4(3H)-one

ChEMBL:

CHEMBL317940

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).