BioLiP

PDB

BioLiP

PDB CCD ID:

RSI

Number of entries in BioLiP:

Chemical formula:

C24 H27 N7 O

InChI:

InChI=1S/C24H27N7O/c1-17(2)31-16-27-21-22(28-24(29-23(21)31)30-11-13-32-14-12-30)26-15-18-6-8-19(9-7-18)20-5-3-4-10-25-20/h3-10,16-17H,11-15H2,1-2H3,(H,26,28,29)

InChIKey:

LQFDMFLOSFCOEO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(nc12)N5CCOCC5
OpenEye OEToolkits 3.1.0.0	CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)c4ccccn4)N5CCOCC5

Name:

2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine

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).