BDBM18128 (2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-2-[(1S,3S,4S,5R,8R)-2,4,5,8-tetrahydroxy-7-oxa-2-azabicyclo[3.2.1]octan-3-yl]acetic acid::CHEMBL310012::SB-219383
SMILES: [H][C@]1([C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(O)=O)[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O
InChI Key: InChIKey=JOBDOAKLPNMGKV-OEUXZGCXSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
tRNA synthetase (TyrRS) (Staphylococcus aureus) | BDBM18128 ((2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamid...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 1 | 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) | ||||||||||||
Tyrosyl-tRNA synthetase (Homo sapiens (Human)) | BDBM18128 ((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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from mammalian cells was determined | Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosyl-tRNA synthetase (Homo sapiens (Human)) | BDBM18128 ((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 | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
SmithKline Beecham Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity of compound against tyrosyl tRNA synthetase from Staphylococcus aureus was determined | Bioorg Med Chem Lett 10: 1811-4 (2000) BindingDB Entry DOI: 10.7270/Q23F4Q5G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosyl-tRNA synthetase (Homo sapiens (Human)) | BDBM18128 ((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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL | Assay Description Inhibitory activity against Bacterial Tyrosyl tRNA Synthetase | Bioorg Med Chem Lett 11: 2499-502 (2001) BindingDB Entry DOI: 10.7270/Q2Z89BPK | |||||||||||
More data for this Ligand-Target Pair |