BDBM21337 6-Azido-uridine 5-O-Monophosphate::C6-Uridine Derivative, 14::JMC521648 Compound 36::{[(2R,3S,4R,5R)-5-(6-azido-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-]

InChI Key InChIKey=GBBWDDPNGBRVEX-YXZULKJRSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21337   

TargetOrotidine 5'-phosphate decarboxylase(Methanobacterium thermoautotrophicum)
Toronto General Research Institute

LigandPNGBDBM21337(6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-]
Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
Affinity DataKi:  190nM ΔG°:  -10.1kcal/molepH: 7.5 T: 2°CAssay Description:An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...More data for this Ligand-Target Pair
TargetOrotidine 5'-phosphate decarboxylase(Methanobacterium thermoautotrophicum)
Toronto General Research Institute

LigandPNGBDBM21337(6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-]
Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
Affinity DataKi:  200nM ΔG°:  -10.1kcal/molepH: 7.5 T: 2°CAssay Description:An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...More data for this Ligand-Target Pair
TargetOrotidine-5'-phosphate decarboxylase(Plasmodium falciparum (malaria parasite P. falcipa...)
Toronto General Research Institute

LigandPNGBDBM21337(6-Azido-uridine 5-O-Monophosphate | C6-Uridine Der...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)N=[N+]=[N-]
Show InChI InChI=1S/C9H12N5O9P/c10-13-12-4-1-5(15)11-9(18)14(4)8-7(17)6(16)3(23-8)2-22-24(19,20)21/h1,3,6-8,16-17H,2H2,(H,11,15,18)(H2,19,20,21)/t3-,6-,7-,8-/m1/s1
Affinity DataKi:  2.00E+3nM ΔG°:  -8.08kcal/molepH: 7.5 T: 2°CAssay Description:An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p...More data for this Ligand-Target Pair