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BioLiP Library

PDB CCD ID: 50A
Number of entries in BioLiP: 2
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-AIHAYLRMSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC1C(O)C(OC1O)COP(=O)(O)O
CACTVS 3.370O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1F
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)O)F)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O
CACTVS 3.370O[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-ribofuranose;
Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;
2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribose;
2-deoxy-2-fluoro-5-O-phosphono-D-ribose;
2-deoxy-2-fluoro-5-O-phosphono-ribose
ZINC: ZINC000098208501
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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