BioLiP

PDB

BioLiP

PDB CCD ID:

W8D

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O

InChI:

InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-8)15(6-14-9)4-7-2-1-3-16-7/h5-7H,1-4,11H2/t7-/m1/s1

InChIKey:

GVRQWFFFCDLKPP-SSDOTTSWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C3(CN2C=NC(=C1N=CN=C12)N)CCCO3
OpenEye OEToolkits 2.0.7	c1nc-2c(ncn(c2n1)CC3CCCO3)N
CACTVS 3.385	Nc1ncn(C[CH]2CCCO2)c3ncnc13
OpenEye OEToolkits 2.0.7	c1nc-2c(ncn(c2n1)C[C@H]3CCCO3)N
CACTVS 3.385	Nc1ncn(C[C@H]2CCCO2)c3ncnc13

Name:

3-{[(2R)-oxolan-2-yl]methyl}-3H-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).