BioLiP

PDB

BioLiP

PDB CCD ID:

FDU

Number of entries in BioLiP:

Chemical formula:

C11 H11 F N2 O5

InChI:

InChI=1S/C11H11FN2O5/c1-2-5-3-14(11(18)13-9(5)17)10-7(12)8(16)6(4-15)19-10/h1,3,6-8,10,15-16H,4H2,(H,13,17,18)/t6-,7+,8-,10-/m1/s1

InChIKey:

YEEGMPUOCRQFRV-IBCQBUCCSA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC[CH]1O[CH]([CH](F)[CH]1O)N2C=C(C#C)C(=O)NC2=O
ACDLabs 12.01	O=C1NC(=O)N(C=C1C#C)C2OC(C(O)C2F)CO
CACTVS 3.370	OC[C@H]1O[C@H]([C@@H](F)[C@@H]1O)N2C=C(C#C)C(=O)NC2=O
OpenEye OEToolkits 1.7.6	C#CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
OpenEye OEToolkits 1.7.6	C#CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F

Name:

1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione;
(2'S)-2'-DEOXY-2'-FLUORO-5-ETHYNYLURIDINE

ChEMBL:

CHEMBL2368299

ZINC:

ZINC000026721200

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).