BioLiP

PDB

BioLiP

PDB CCD ID:

JY8

Number of entries in BioLiP:

Chemical formula:

C8 H11 N5

InChI:

InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)

InChIKey:

XTIWXGMLCTZPOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCn1c(nc2c1ncnc2N)C
CACTVS 3.385	CCn1c(C)nc2c(N)ncnc12

Name:

9-ethyl-8-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).