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.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21337   

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)	BDBM21337 (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-] |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	190	-10.1	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)	BDBM21337 (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-] |r| 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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	200	-10.1	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...)	BDBM21337 (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-] |r| 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	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	2.00E+3	-8.08	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)