BioLiP

PDB

BioLiP

PDB CCD ID:

JXZ

Number of entries in BioLiP:

Chemical formula:

C8 H11 N5 O

InChI:

InChI=1S/C8H11N5O/c1-5-12-6-7(9)10-4-11-8(6)13(5)2-3-14/h4,14H,2-3H2,1H3,(H2,9,10,11)

InChIKey:

JSYNJZZGNMUJED-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1nc2c(N)ncnc2n1CCO
OpenEye OEToolkits 2.0.7	Cc1nc2c(ncnc2n1CCO)N

Name:

2-(6-azanyl-8-methyl-purin-9-yl)ethanol

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).