BioLiP

PDB

BioLiP

PDB CCD ID:

6AM

Number of entries in BioLiP:

Chemical formula:

C3 H5 N5 O

InChI:

InChI=1S/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)

InChIKey:

MASBWURJQFFLOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Oc1nc(nc(n1)N)N
OpenEye OEToolkits 1.7.6	c1(nc(nc(n1)O)N)N
CACTVS 3.385	Nc1nc(N)nc(O)n1

Name:

4,6-diamino-1,3,5-triazin-2-ol;
Ammeline

ZINC:

ZINC000017968769

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).