Ligand
Ligand Name:   5-FLUORO-UMP
Ligand Type:   RNA linking
Ligand ID:   COVPDB263 PubChem:   150856
Synonym(s):  
  •   5-fluorouridine monophosphate
  • fosfluoridine
  • 5-fluorouridylic acid
  • fump-5'
  • 796-66-7
  • unii-bmw6rnk254
  • 5-fluorouridine 5'-monophosphate
  • bmw6rnk254
  • chebi:40101
  • 5-fluoro-uridine-5'-monophosphate", "5-fluorouridine 5'-phosphate", "5-fluorouridine 5'-(dihydrogen phosphate)
  • 5-fluorouridylate
  • 5-f-ump
  • uridine derivative, 39
  • 5f-ump
  • schembl465109
  • 5'-uridylic acid, 5-fluoro-
  • chembl474163
  • bdbm27943
  • dtxsid601000617
  • c16634
  • q27120389
  • 5-fluoro-4-hydroxy-1-(5-o-phosphonopentofuranosyl)pyrimidin-2(1h)-one
  • ((2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate
  • {[(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
show 23 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL474163
Canonical SMILES:   O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Standard InChI:   InChI=1S/C9H12FN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1
Molecular Formula:   C9H12FN2O9P Mol. Weight:   342.02646 logP:   -2.5958
HBD:   5 HBA:   8
#Rotatable Bonds:   4 TPSA:   171.31

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3G3M 5FU Ki : 1100 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3G3M 5FU Ki : 98000 nM BindingDB SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3G3D 5FU Ki : 18200 nM PDBBind SHOW
Uridine 5'-monophosphate synthase P11172 (UMPS_HUMAN) Homo sapiens (Human) 3G3D 5FU Ki : 98000 nM BindingDB SHOW
Orotidine 5'-phosphate decarboxylase O26232 (PYRF_METTH) Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H) (Methanobacterium thermoautotrophicum) 3SGU 5FU
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SHOW
Orotidine 5'-phosphate decarboxylase O26232 (PYRF_METTH) Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H) (Methanobacterium thermoautotrophicum) 3SW6 5FU
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SHOW