BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C10 H13 N4 O7 P

InChI:

InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChIKey:

PHNGFPPXDJJADG-RRKCRQDMSA-N

SMILES:

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

Name:

2'-DEOXYINOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000013522804

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).