Ligand
Ligand Name:   5-FLUORO-2'-DEOXY-UMP
Ligand Type:   DNA linking
Ligand ID:   COVPDB1415 PubChem:   8642
Synonym(s):  
  •   5-fluorodeoxyuridine monophosphate
  • 5-fluoro-2'-deoxyuridine-5'-monophosphate
  • fluorodeoxyuridylate
  • fdump
  • f-dump
  • 134-46-3
  • 5fdump
  • chembl886
  • chebi:2129
  • unii-7cj707h131
  • 2'-deoxy-5-fluorouridine 5'-(dihydrogen phosphate)
  • 7cj707h131
  • 5-fluoro-2-deoxyuridine monophosphate (fdump)
  • 88410-68-8
  • [(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • ufp
  • poly(df5u)
  • poly(5'-fu)", "poly(5-fluoro-2'-deoxyuridylic acid)
  • db03761
  • 5'-uridylic acid, 2'-deoxy-5-fluoro-
  • schembl6107
  • dtxsid60158450
  • zinc3875881
  • bdbm50022238
  • 5-fluoro-2'-deoxy-5'-monophosphateuridine
  • c04242
  • 124692-ep2295426a1
  • 124692-ep2295427a1
  • 5'-uridylic acid, 2'-deoxy-5-fluoro-, homopolymer", "5-fluoro-2''-deoxyuridine-5''-monophosphate
  • q27105559
  • (r)-5-fluoro-1-((4s,5r)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1h-pyrimidine-2,4-dione
  • phosphoric acid mono-[(2r,3s,5r)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
  • phosphoric acid mono-[5-(5-fluoro-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
show 32 synonym(s)
DrugBank:   DB03761 ChEMBL:   CHEMBL886
Canonical SMILES:   O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Standard InChI:   InChI=1S/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
Molecular Formula:   C9H12FN2O8P Mol. Weight:   326.03152 logP:   -1.5666
HBD:   4 HBA:   7
#Rotatable Bonds:   4 TPSA:   151.08

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Thymidylate synthase P0A884 (TYSY_ECOLI) Escherichia coli (strain K12) 1TSN UFP Ki : 10 nM BindingDB SHOW
Thymidylate synthase P07607 (TYSY_MOUSE) Mus musculus (Mouse) 5FCT UFP IC50 : 42 nM, IC50 : 10000 nM, Ki : 30 nM, IC50 : 8 nM, Ki : 10 nM, Ki : 20 nM, Ki : 14 nM, IC50 : 17 nM BindingDB SHOW
Thymidylate synthase P0A884 (TYSY_ECOLI) Escherichia coli (strain K12) 1BJG UFP
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SHOW
Thymidylate synthase 1 P0CI79 (TYSY1_BACSU) Bacillus subtilis (strain 168) 1B02 UFP
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SHOW