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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'tRNA synthetase (TyrRS)' and Ligand = 'BDBM18132'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
tRNA synthetase (TyrRS)


(Staphylococcus aureus)
BDBM18132
PNG
((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...)
Show SMILES C[C@H]1O[C@@H]([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1/C17H24N2O8/c1-7-12(21)13(22)14(23)15(27-7)11(17(25)26)19-16(24)10(18)6-8-2-4-9(20)5-3-8/h2-5,7,10-15,20-23H,6,18H2,1H3,(H,19,24)(H,25,26)/t7-,10+,11+,12+,13+,14-,15+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

MMDB
PDB
Article
PubMed
n/an/a 4n/an/an/an/a7.937



GSK



Assay Description
The concentration of inhibitor which results in 50% inhibition (IC50) of enzyme activity was determined by preincubating recombinant S. aureus TyrRS ...


Protein Sci 10: 2008-16 (2001)


Article DOI: 10.1110/ps.18001
BindingDB Entry DOI: 10.7270/Q2NG4NXT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)