BioLiP

PDB

BioLiP

PDB CCD ID:

GFP

Number of entries in BioLiP:

Chemical formula:

C6 H12 F O8 P

InChI:

InChI=1S/C6H12FO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1

InChIKey:

LXEHNDWFCMGWAY-QZABAPFNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O
OpenEye OEToolkits 1.5.0	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)F)O)O)O
CACTVS 3.341	OC[C@H]1O[C@H](O[P](O)(O)=O)[C@H](F)[C@@H](O)[C@@H]1O
CACTVS 3.341	OC[CH]1O[CH](O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O
ACDLabs 10.04	O=P(OC1OC(C(O)C(O)C1F)CO)(O)O

Name:

2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose;
2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE;
2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucose;
2-deoxy-2-fluoro-1-O-phosphono-D-glucose;
2-deoxy-2-fluoro-1-O-phosphono-glucose

ChEMBL:

CHEMBL1233022

ZINC:

ZINC000005830076

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).