BioLiP

PDB

BioLiP

PDB CCD ID:

X66

Number of entries in BioLiP:

Chemical formula:

C9 H9 N5 O2

InChI:

InChI=1S/C9H9N5O2/c10-8-12-7(13-9(11)14-8)5-3-4(15)1-2-6(5)16/h1-3,15-16H,(H4,10,11,12,13,14)

InChIKey:

FFMXQJGTUTXUCC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(c(cc1O)c2nc(nc(n2)N)N)O
ACDLabs 12.01	n1c(nc(nc1c2c(O)ccc(O)c2)N)N
CACTVS 3.370	Nc1nc(N)nc(n1)c2cc(O)ccc2O

Name:

2-(4,6-diamino-1,3,5-triazin-2-yl)benzene-1,4-diol

ChEMBL:

CHEMBL1551934

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).