BioLiP

PDB

BioLiP

PDB CCD ID:

UMF

Number of entries in BioLiP:

Chemical formula:

C9 H12 F N2 O8 P

InChI:

InChI=1S/C9H12FN2O8P/c10-6-7(20-21(16,17)18)4(3-13)19-8(6)12-2-1-5(14)11-9(12)15/h1-2,4,6-8,13H,3H2,(H,11,14,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey:

IFIXUMAFUNKIAA-XVFCMESISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)F
CACTVS 3.341	OC[CH]1O[CH]([CH](F)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
ACDLabs 10.04	O=C1NC(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2F)CO
OpenEye OEToolkits 1.5.0	C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)OP(=O)(O)O)F
CACTVS 3.341	OC[C@H]1O[C@H]([C@H](F)[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O

Name:

2'-FLUORO-2'-DEOXYURIDINE 3'-MONOPHOSPHATE;
1-(2-DEOXY-2-FLUORO-3-O-PHOSPHONO-BETA-L-RIBOFURANOSYL)PYRIMIDINE-2,4(1H,3H)-DIONE

DrugBank:

DB03155

ZINC:

ZINC000033821548

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).