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
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine--tRNA ligase, cytoplasmic (Homo sapiens (Human)) | BDBM18132 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/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) BindingDB Entry DOI: 10.7270/Q20C4V1Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine--tRNA ligase (Staphylococcus aureus) | BDBM18132 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.9 | 37 |
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 Structure (crystal) |