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PDB code 4HWS

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
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
Threonine--tRNA ligase

  (356/401 = 89%)
(Yersinia pestis)
BDBM50426188
PNG
(CHEMBL2311920)
Show SMILES C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(c1)-c1ccc2c(N)nc(Cl)nc2c1
Show InChI InChI=1/C18H18ClN5O4S/c1-9(25)15(20)17(26)24-29(27,28)12-4-2-3-10(7-12)11-5-6-13-14(8-11)22-18(19)23-16(13)21/h2-9,15,25H,20H2,1H3,(H,24,26)(H2,21,22,23)/t9-,15+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PDB
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



Trius Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry


J Med Chem 56: 1748-60 (2013)


Article DOI: 10.1021/jm301756m
BindingDB Entry DOI: 10.7270/Q2GQ7036
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output