BDBM18123 (5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}sulfonyl)amino]carbonyl}pyrrolidin-2-one::5-O-[N-(L-pyroglutamyl)-sulfamoyl]adenosine::pGluAMS
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H]2CCC(=O)N2)[C@@H](O)[C@H]1O
InChI Key: InChIKey=SBKAGUBHHUQAFA-WERHYGNASA-N
Data: 1 KI
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 (GluRS) (Escherichia coli) | BDBM18123 ((5S)-5-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.50E+4 | -6.84 | 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... | J Enzyme Inhib Med Chem 20: 61-7 (2005) Article DOI: 10.1080/14756360400002007 BindingDB Entry DOI: 10.7270/Q2X0659C | |||||||||||
More data for this Ligand-Target Pair |