BioLiP

PDB

BioLiP

PDB CCD ID:

HD9

Number of entries in BioLiP:

Chemical formula:

C11 H15 N5 O5

InChI:

InChI=1S/C11H15N5O5/c1-20-9-5-8(14-11(12)15-9)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1

InChIKey:

IXOXBSCIXZEQEQ-KQYNXXCUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 2.0.7	COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.385	COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
CACTVS 3.385	COc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

Name:

(2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

ChEMBL:

CHEMBL406852

ZINC:

ZINC000005998706

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).