BioLiP

PDB

BioLiP

PDB CCD ID:

4UO

Number of entries in BioLiP:

Chemical formula:

C10 H12 N4 O6

InChI:

InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1

InChIKey:

UBORTCNDUKBEOP-UUOKFMHZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1nc2c(n1C3C(C(C(O3)CO)O)O)NC(=O)NC2=O
ACDLabs 12.01	O=C1NC(=O)Nc2c1ncn2C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.9.2	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)NC2=O
CACTVS 3.385	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)NC(=O)Nc23
CACTVS 3.385	OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)NC(=O)Nc23

Name:

2,3-dihydroxanthosine;
Xanthosine

ChEMBL:

CHEMBL402439

ZINC:

ZINC000001561970

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).