BioLiP

PDB

BioLiP

PDB CCD ID:

DKZ

Number of entries in BioLiP:

Chemical formula:

C10 H14 F N3 O5

InChI:

InChI=1S/C10H14FN3O5/c11-6-7(16)4(3-15)19-9(8(6)17)14-2-1-5(12)13-10(14)18/h1-2,4,6-9,15-17H,3H2,(H2,12,13,18)/t4-,6+,7-,8-,9-/m1/s1

InChIKey:

AGFREDUIXIMAKC-PMPOVCSBSA-N

SMILES:

Software	SMILES
CACTVS 3.352	NC1=NC(=O)N(C=C1)[CH]2O[CH](CO)[CH](O)[CH](F)[CH]2O
OpenEye OEToolkits 1.7.0	C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)CO)O)F)O
OpenEye OEToolkits 1.7.0	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)F)O
CACTVS 3.352	NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@H]2O

Name:

4-amino-1-(3-deoxy-3-fluoro-beta-D-glucopyranosyl)pyrimidin-2(1H)-one;
4-amino-1-(3-deoxy-3-fluoro-beta-D-glucosyl)pyrimidin-2(1H)-one;
4-amino-1-(3-deoxy-3-fluoro-D-glucosyl)pyrimidin-2(1H)-one;
4-amino-1-(3-deoxy-3-fluoro-glucosyl)pyrimidin-2(1H)-one

ZINC:

ZINC000049070576

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).