BDBM21339 6-Methyl-uridine 5-O-Monophosphate::C6-Uridine Derivative, 16::JMC521648 Compound 38::{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid
SMILES: Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=CHBBJHPQYVYKFI-ZOQUXTDFSA-N
Data: 4 KI
PDB links: 1 PDB ID matches this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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) (Plasmodium vivax (malaria parasite P. vivax)) | BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 2.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
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 | |||||||||||||
Orotidine Monophosphate Decarboxylase (ODCase) (Plasmodium falciparum (malaria parasite P. falcipa...) | BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 3.41E+4 | -6.34 | 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) | BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.34E+5 | -5.81 | 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) (Methanobacterium thermoautotrophicum) | BDBM21339 (6-Methyl-uridine 5-O-Monophosphate | C6-Uridine De...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 1.34E+5 | -5.81 | 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) |