BioLiP

PDB

BioLiP

PDB CCD ID:

8IZ

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O6

InChI:

InChI=1S/C10H14N2O6/c1-12-2-4(9(16)11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,8+/m1/s1

InChIKey:

UVBYMVOUBXYSFV-XUTVFYLZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
CACTVS 3.385	CN1C=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)NC1=O
OpenEye OEToolkits 2.0.7	CN1C=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
CACTVS 3.385	CN1C=C([CH]2O[CH](CO)[CH](O)[CH]2O)C(=O)NC1=O

Name:

5-[(2S,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1-methyl-pyrimidine-2,4-dione

ZINC:

ZINC000006072377

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).