BioLiP

PDB

BioLiP

PDB CCD ID:

F2U

Number of entries in BioLiP:

Chemical formula:

C11 H10 F2 N2 O5

InChI:

InChI=1S/C11H10F2N2O5/c1-2-5-3-15(10(19)14-8(5)18)9-11(12,13)7(17)6(4-16)20-9/h1,3,6-7,9,16-17H,4H2,(H,14,18,19)/t6-,7-,9-/m1/s1

InChIKey:

JFVJRPYRLUHQTG-ZXFLCMHBSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[C@H]1O[C@@H](N2C=C(C#C)C(=O)NC2=O)C(F)(F)[C@@H]1O
CACTVS 3.370	OC[CH]1O[CH](N2C=C(C#C)C(=O)NC2=O)C(F)(F)[CH]1O
OpenEye OEToolkits 1.7.6	C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F
ACDLabs 12.01	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2(F)F)CO
OpenEye OEToolkits 1.7.6	C#CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F

Name:

2'-deoxy-5-ethynyl-2',2'-difluorouridine;
2'-deoxy-2',2'-difluoro-5-ethynyluridine

ZINC:

ZINC000098208851

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).