BDBM21338 6-Amino-uridine 5-O-Monophosphate::C6-Uridine Derivative, 15::JMC521648 Compound 37::{[(2R,3S,4R,5R)-5-(6-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
SMILES: Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=DUFXRFNPGXQQOI-YXZULKJRSA-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 Monophosphate Decarboxylase (ODCase) (Methanobacterium thermoautotrophicum) | BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 840 | -9.12 | 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) | BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 840 | 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) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Methanobacterium thermoautotrophicum) | BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 840 | -9.12 | 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 52: 1648-58 (2009) Article DOI: 10.1021/jm801224t BindingDB Entry DOI: 10.7270/Q2RR1WJB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM21338 (6-Amino-uridine 5-O-Monophosphate | C6-Uridine Der...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 2.10E+3 | -8.05 | 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 (crystal) |