BioLiP

PDB

BioLiP

PDB CCD ID:

OJI

Number of entries in BioLiP:

Chemical formula:

C10 H13 N5 O4

InChI:

InChI=1S/C10H13N5O4/c11-10-12-1-4-8(14-10)15(3-13-4)9-7(18)6(17)5(2-16)19-9/h1,3,5-7,9,16-18H,2H2,(H2,11,12,14)/t5-,6-,7-,9-/m1/s1

InChIKey:

JVOJULURLCZUDE-JXOAFFINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O
CACTVS 3.385	Nc1ncc2ncn([CH]3O[CH](CO)[CH](O)[CH]3O)c2n1
OpenEye OEToolkits 2.0.7	c1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.385	Nc1ncc2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

Name:

(2R,3R,4S,5R)-2-(2-azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

ChEMBL:

CHEMBL1651367

ZINC:

ZINC000040442819

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).