BDBM18120 Gln-KPA::[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3S)-3-amino-5-carbamoyl-2-oxopentyl]phosphonate::beta-ketophosphonate analogue

SMILES: N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key: InChIKey=CJELOTFKVVIGSB-SWHQBSNRSA-M

Data: 2 KI

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 2 hits for monomerid = 18120   

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
tRNA synthetase (GlnRS) (Escherichia coli)	BDBM18120 (Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...) Show SMILES N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N7O8P/c17-7(1-2-10(18)25)8(24)4-32(28,29)30-3-9-12(26)13(27)16(31-9)23-6-22-11-14(19)20-5-21-15(11)23/h5-7,9,12-13,16,26-27H,1-4,17H2,(H2,18,25)(H,28,29)(H2,19,20,21)/p-1/t7-,9+,12+,13+,16+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.50E+5	-4.52	n/a	n/a	n/a	n/a	n/a	7.2	37
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				Bioorg Med Chem 15: 295-304 (2007) Article DOI: 10.1016/j.bmc.2006.09.056 BindingDB Entry DOI: 10.7270/Q21N7ZD3
					More data for this Ligand-Target Pair
tRNA synthetase (GluRS) (Escherichia coli)	BDBM18120 (Gln-KPA | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)...) Show SMILES N[C@@H](CCC(N)=O)C(=O)CP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N7O8P/c17-7(1-2-10(18)25)8(24)4-32(28,29)30-3-9-12(26)13(27)16(31-9)23-6-22-11-14(19)20-5-21-15(11)23/h5-7,9,12-13,16,26-27H,1-4,17H2,(H2,18,25)(H,28,29)(H2,19,20,21)/p-1/t7-,9+,12+,13+,16+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90E+6	-3.60	n/a	n/a	n/a	n/a	n/a	7.2	37
CREFSIP					Assay Description The Km and Kappm for the amino acid substrate were first calculated from Lineweaver-Burk plots. The Ki values were calculated from the Kappm vs [I] p...				Bioorg Med Chem 15: 295-304 (2007) Article DOI: 10.1016/j.bmc.2006.09.056 BindingDB Entry DOI: 10.7270/Q21N7ZD3
					More data for this Ligand-Target Pair