BioLiP

PDB

BioLiP

PDB CCD ID:

RF5

Number of entries in BioLiP:

Chemical formula:

C5 H10 F O7 P

InChI:

InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3+,4-,5+/m1/s1

InChIKey:

NOTDWSJIOCLYHZ-LECHCGJUSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	FC1C(O)C(OC1O)COP(=O)(O)O
CACTVS 3.370	O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1F
OpenEye OEToolkits 1.7.6	C(C1C(C(C(O1)O)F)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)OP(=O)(O)O
CACTVS 3.370	O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1F

Name:

2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose;
Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;
2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinose;
2-deoxy-2-fluoro-5-O-phosphono-D-arabinose;
2-deoxy-2-fluoro-5-O-phosphono-arabinose

ZINC:

ZINC000027766760

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).