BDBM27943 uridine derivative, 39::{[(2R,3S,4R,5R)-5-(5-fluoro-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](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
InChI Key: InChIKey=RNBMPPYRHNWTMA-UAKXSSHOSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Orotate phosphoribosyltransferase (HsOPRT) (Homo sapiens (Human)) | BDBM27943 (uridine derivative, 39 | {[(2R,3S,4R,5R)-5-(5-fluo...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 9.80E+4 | -5.68 | 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 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) | BDBM27943 (uridine derivative, 39 | {[(2R,3S,4R,5R)-5-(5-fluo...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 6.45E+5 | -4.79 | 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) |