Reaction Details Report a problem with these data
Target
Orotidine 5'-phosphate decarboxylase
Ligand
BDBM50310540
Substrate
n/a
Meas. Tech.
ChEMBL_874990 (CHEMBL2183866)
Ki
1200000±n/a nM
Citation
 Purohit, MK; Poduch, E; Wei, LW; Crandall, IE; To, T; Kain, KC; Pai, EF; Kotra, LP Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. J Med Chem 55:9988-97 (2012) [PubMed]  Article 
Target
Name:
Orotidine 5'-phosphate decarboxylase
Synonyms:
OMP decarboxylase | OMPDCase | Orotidine 5-phosphate decarboxylase | Orotidine Monophosphate Decarboxylase (ODCase) | PYRF_METTH | pyrF
Type:
Enzyme
Mol. Mass.:
24909.45
Organism:
Methanobacterium thermoautotrophicum
Description:
n/a
Residue:
228
Sequence:
MRSRRVDVMDVMNRLILAMDLMNRDDALRVTGEVREYIDTVKIGYPLVLSEGMDIIAEFRKRFGCRIIADFKVADIPETNEKICRATFKAGADAIIVHGFRGADSVRACLNVAEEMGREVFLLTEMSHPGAEMFIQGAADEIARMGVDLGVKNYVGPSTRPERLSRLREIIGQDSFLISPGVGAQGGDPGETLRFADAIIVGRSIYLADNPAAAAAGIIESIKDLLNP
  
Inhibitor
Name:
BDBM50310540
Synonyms:
((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methyl dihydrogen phosphate | ((2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate | CHEMBL307679 | CYTIDINE-5'-MONOPHOSPHATE | Phosphoric acid mono-[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethyl] ester | cytidine 5'-phosphate
Type:
Small organic molecule
Emp. Form.:
C9H14N3O8P
Mol. Mass.:
323.1965
SMILES:
Nc1ccn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Structure:
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