BioLiP

PDB

BioLiP

PDB CCD ID:

IEB

Number of entries in BioLiP:

Chemical formula:

C18 H18 N6 O

InChI:

InChI=1S/C18H18N6O/c1-12-20-17-16(19-11-24(17)3)18(21-12)25-10-15-22-14(9-23(15)2)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3

InChIKey:

FGJNVAWVKKSKHE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1cc(nc1COc2nc(C)nc3n(C)cnc23)c4ccccc4
OpenEye OEToolkits 2.0.7	Cc1nc2c(c(n1)OCc3nc(cn3C)c4ccccc4)ncn2C
ACDLabs 12.01	Cn1cc(nc1COc1nc(C)nc2c1ncn2C)c1ccccc1

Name:

2,9-dimethyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-9H-purine

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).