BioLiP

PDB

BioLiP

PDB CCD ID:

2ND

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O4

InChI:

InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1

InChIKey:

VGONTNSXDCQUGY-RRKCRQDMSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0	c1nc2c(n1C3CC(C(O3)CO)O)N=CNC2=O
CACTVS 3.341	OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)NC=Nc23
OpenEye OEToolkits 1.5.0	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO)O)N=CNC2=O
ACDLabs 10.04	O=C1c2ncn(c2N=CN1)C3OC(C(O)C3)CO

Name:

2'-DEOXYINOSINE

ChEMBL:

CHEMBL1229971

DrugBank:

DB02380

ZINC:

ZINC000012493443

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).