BioLiP

PDB

BioLiP

PDB CCD ID:

IF3

Number of entries in BioLiP:

Chemical formula:

C8 H12 N6

InChI:

InChI=1S/C8H12N6/c1-9-6-5-7(14(3)4-11-5)13-8(10-2)12-6/h4H,1-3H3,(H2,9,10,12,13)

InChIKey:

YFZMXDSHFHHAQH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CNc1c2c(nc(n1)NC)n(cn2)C
CACTVS 3.385	CNc1nc(NC)c2ncn(C)c2n1

Name:

~{N}2,~{N}6,9-trimethylpurine-2,6-diamine

ChEMBL:

CHEMBL5173725

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).