BDBM21340 6-aza-UMP::C6-Uridine Derivative, 18::{[(2R,3S,4R,5R)-5-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-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)n1ncc(=O)[nH]c1=O
InChI Key: InChIKey=LRVZOSYMNMNQFR-SHUUEZRQSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orotidine phosphate decarboxylase (Saccharomyces cerevisiae) | BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of Saccharomyces cerevisiae ODCase at 25 degreeC by competitive binding assay | J Med Chem 49: 4937-45 (2006) Article DOI: 10.1021/jm060202r BindingDB Entry DOI: 10.7270/Q2J9676J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum ODCase at 25 degreeC by competitive binding assay | J Med Chem 49: 4937-45 (2006) Article DOI: 10.1021/jm060202r BindingDB Entry DOI: 10.7270/Q2J9676J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.10E+3 | -8.45 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
Toronto General Research Institute | Assay Description An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p... | J Med Chem 51: 439-48 (2008) Article DOI: 10.1021/jm7010673 BindingDB Entry DOI: 10.7270/Q27H1GWS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Methanobacterium thermoautotrophicum) | BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.24E+4 | -7.36 | n/a | n/a | n/a | n/a | n/a | 7.5 | 55 |
Toronto General Research Institute | Assay Description An enzyme assay method using isothermal titration calorimetry (ITC) was developed to investigate the inhibition kinetics of ODCase. Titrations were p... | J Med Chem 51: 439-48 (2008) Article DOI: 10.1021/jm7010673 BindingDB Entry DOI: 10.7270/Q27H1GWS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Methanobacterium thermoautotrophicum) | BDBM21340 (6-aza-UMP | C6-Uridine Derivative, 18 | {[(2R,3S,4...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto Curated by ChEMBL | Assay Description Inhibition of Methanobacterium thermoautotrophicum ODCase at 55 degreeC by competitive binding assay | J Med Chem 49: 4937-45 (2006) Article DOI: 10.1021/jm060202r BindingDB Entry DOI: 10.7270/Q2J9676J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |