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BDBM18132 (2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]acetic acid::CHEMBL163022::SB-284485

SMILES: [H][C@]1(O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O

InChI Key: InChIKey=KUCHJUZRDGYEDY-HRNUQJICSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 18132   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tyrosyl-tRNA synthetase


(Homo sapiens (Human))
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=1S/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+/m1/s1
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KEGG

UniProtKB/SwissProt

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KEGG
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibitory activity against Staphylococcus aureus tyrosyl tRNA synthetase (YRS) using aminoacylation assay


Bioorg Med Chem Lett 11: 715-8 (2001)


Article DOI: 10.1016/S0960-894X(01)00040-3
BindingDB Entry DOI: 10.7270/Q20C4V1Q
More data for this
Ligand-Target Pair
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=1S/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+/m1/s1
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)