BioLiP

PDB

BioLiP

PDB CCD ID:

Y7U

Number of entries in BioLiP:

Chemical formula:

C9 H10 F2 N2 O5

InChI:

InChI=1S/C9H10F2N2O5/c10-9(11)6(16)4(3-14)18-7(9)13-2-1-5(15)12-8(13)17/h1-2,4,6-7,14,16H,3H2,(H,12,15,17)

InChIKey:

FIRDBEQIJQERSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
CACTVS 3.385	OC[CH]1O[CH](N2C=CC(=O)NC2=O)C(F)(F)[CH]1O
CACTVS 3.385	OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)C(F)(F)[C@@H]1O

Name:

2',2'-Difluorodeoxyuridine;
1-[(2~{R},4~{R},5~{R})-3,3-bis(fluoranyl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione

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).