BioLiP

PDB

BioLiP

PDB CCD ID:

G2F

Number of entries in BioLiP:

Chemical formula:

C6 H11 F O5

InChI:

InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4-,5-,6+/m1/s1

InChIKey:

ZCXUVYAZINUVJD-UKFBFLRUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	C(C1C(C(C(C(O1)O)F)O)O)O
CACTVS 3.370	OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O)O
CACTVS 3.370	OC[C@H]1O[C@H](O)[C@H](F)[C@@H](O)[C@@H]1O
ACDLabs 12.01	FC1C(O)C(O)C(OC1O)CO

Name:

2-deoxy-2-fluoro-alpha-D-glucopyranose;
2-deoxy-2-fluoro-alpha-D-glucose;
2-deoxy-2-fluoro-D-glucose;
2-deoxy-2-fluoro-glucose

ChEMBL:

CHEMBL1086863

DrugBank:

DB04282

ZINC:

ZINC000003809846

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).