BioLiP

PDB

BioLiP

PDB CCD ID:

NXB

Number of entries in BioLiP:

Chemical formula:

C11 H16 N6 O3

InChI:

InChI=1S/C11H16N6O3/c12-5-2-20-6(9(19)8(5)18)1-17-4-16-7-10(13)14-3-15-11(7)17/h3-6,8-9,18-19H,1-2,12H2,(H2,13,14,15)/t5-,6-,8-,9+/m1/s1

InChIKey:

YFNWLMALNRKCLH-GCXDCGAKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H]1CO[C@H](Cn2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O
CACTVS 3.385	N[CH]1CO[CH](Cn2cnc3c(N)ncnc23)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)CC3C(C(C(CO3)N)O)O)N
OpenEye OEToolkits 2.0.7	c1nc(c2c(n1)n(cn2)C[C@@H]3[C@@H]([C@@H]([C@@H](CO3)N)O)O)N

Name:

(2~{R},3~{R},4~{R},5~{R})-2-[(6-aminopurin-9-yl)methyl]-5-azanyl-oxane-3,4-diol

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).