BioLiP

PDB

BioLiP

PDB CCD ID:

5UD

Number of entries in BioLiP:

Chemical formula:

C9 H11 F N2 O6

InChI:

InChI=1S/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

InChIKey:

FHIDNBAQOFJWCA-UAKXSSHOSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH]1O[CH]([CH](O)[CH]1O)N2C=C(F)C(=O)NC2=O
ACDLabs 10.04	FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)CO
OpenEye OEToolkits 1.5.0	C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)F
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O
OpenEye OEToolkits 1.5.0	C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F

Name:

5-FLUOROURIDINE

ChEMBL:

CHEMBL54918

DrugBank:

DB01629

ZINC:

ZINC000001078624

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).