BioLiP

PDB

BioLiP

PDB CCD ID:

NRT

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O2

InChI:

InChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)/t6-/m0/s1

InChIKey:

HNPVBOXKEKDGNE-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.341	Nc1nc2[nH]cnc2c(OC[C@@H]3CCCO3)n1
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OC[C@@H]3CCCO3
CACTVS 3.341	Nc1nc2[nH]cnc2c(OC[CH]3CCCO3)n1
ACDLabs 10.04	n2c(OCC1OCCC1)c3ncnc3nc2N
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OCC3CCCO3

Name:

6-(TETRAHYDRO-2-FURANYLMETHOXY)-9H-PURIN-2-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).