BDBM84560 Phosphate analogue, (S)-21

SMILES: OP(O)(=O)OC[C@@H]1COC(=O)N1

InChI Key: InChIKey=LQJUTFAVTXBWGD-VKHMYHEASA-N

Data: 1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 84560   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM84560 (Phosphate analogue, (S)-21) Show SMILES OP(O)(=O)OC[C@@H]1COC(=O)N1 |r| Show InChI InChI=1S/C4H8NO6P/c6-4-5-3(1-10-4)2-11-12(7,8)9/h3H,1-2H2,(H,5,6)(H2,7,8,9)/t3-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10E+6	-3.39	n/a	n/a	n/a	n/a	n/a	8.0	37
University of Bristol					Assay Description The assay was monitored spectrophotometrically through the consumption of beta-NADPH. The inhibitor assays contained inhibitor at concentrations of ...				Chembiochem 6: 1866-74 (2005) Article DOI: 10.1002/cbic.200500061 BindingDB Entry DOI: 10.7270/Q26D5RHB
					More data for this Ligand-Target Pair