| Reaction Details |
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 | Report a problem with these data |
| Target | Phenylalanine--tRNA ligase alpha/beta subunit |
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| Ligand | BDBM18112 |
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| Substrate/Competitor | BDBM18073 |
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| Meas. Tech. | Homogeneous Enzyme Assay with SPA Beads |
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| pH | 2±n/a |
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| IC50 | 30±n/a nM |
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| Comments | extracted |
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| Citation |  Jarvest, RL; Erskine, SG; Forrest, AK; Fosberry, AP; Hibbs, MJ; Jones, JJ; O'Hanlon, PJ; Sheppard, RJ; Worby, A Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase. Bioorg Med Chem Lett15:2305-9 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Phenylalanine--tRNA ligase alpha/beta subunit |
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| Name: | Phenylalanine--tRNA ligase alpha/beta subunit |
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| Synonyms: | tRNA synthetase (PheRS) |
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| Type: | Tetramer of two alpha and two beta chains. |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | Phenylalanine--tRNA ligase alpha subunit |
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| Synonyms: | Phenylalanine--tRNA ligase alpha chain | SYFA_STAAU | pheS | tRNA synthetase (PheRS) alpha chain |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 40113.71 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 352 |
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| Sequence: | MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFG
QKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIE
DLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQART
MESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKL
FGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMA
GFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
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| Component 2 |
| Name: | Phenylalanine--tRNA ligase alpha subunit |
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| Synonyms: | Phenylalanine--tRNA ligase alpha chain | SYFA_STAAU | pheS | tRNA synthetase (PheRS) alpha chain |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 40113.71 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 352 |
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| Sequence: | MSEQQTMSELKQQALVDINEANDERALQEVKVKYLGKKGSVSGLMKLMKDLPNEEKPAFG
QKVNELRQTIQNELDERQQMLVKEKLNKQLAEETIDVSLPGRHIEIGSKHPLTRTIEEIE
DLFLGLGYEIVNGYEVEQDHYNFEMLNLPKSHPARDMQDSFYITDEILLRTHTSPVQART
MESRHGQGPVKIICPGKVYRRDSDDATHSHQFTQIEGLVVDKNVKMSDLKGTLELLAKKL
FGADREIRLRPSYFPFTEPSVEVDVSCFKCKGKGCNVCKHTGWIEILGAGMVHPNVLEMA
GFDSSEYSGFAFGMGPDRIAMLKYGIEDIRHFYTNDVRFLDQFKAVEDRGDM
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| Component 3 |
| Name: | Phenylalanine--tRNA ligase beta subunit |
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| Synonyms: | Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STAAU | pheT | tRNA synthetase (PheRS) beta chain |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 88924.81 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 800 |
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| Sequence: | MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDAD
KLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMIC
SLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIG
TAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIW
MQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDD
TERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNL
RSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKI
NRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDD
IPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTI
DLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYL
SGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILL
ENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALE
VDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDER
VSKVQAEIEAALIEQGAVIR
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| Component 4 |
| Name: | Phenylalanine--tRNA ligase beta subunit |
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| Synonyms: | Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STAAU | pheT | tRNA synthetase (PheRS) beta chain |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 88924.81 |
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| Organism: | Staphylococcus aureus |
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| Description: | n/a |
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| Residue: | 800 |
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| Sequence: | MLISNEWLKEYVTIDDSVSDLAERITRTGIEVDDLIDYTKDIKNLVVGFVKSKEKHPDAD
KLNVCQVDIGEDEPVQIVCGAPNVDAGQYVIVAKVGGRLPGGIKIKRAKLRGERSEGMIC
SLQEIGISSNYIPKSFESGIYVFSESQVPGTDALQALYLDDQVMEFDLTPNRADALSMIG
TAYEVAALYNTKMTKPETTSNELELSANDELTVTIENEDKVPYYSARVVHDVTIEPSPIW
MQARLIKAGIRPINNVVDISNYVLLEYGQPLHMFDQDAIGSQQIVVRQANEGEKMTTLDD
TERELLTSDIVITNGQTPIALAGVMGGDFSEVKEQTSNIVIEGAIFDPVSIRHTSRRLNL
RSESSSRFEKGIATEFVDEAVDRACYLLQTYANGKVLKDRVSSGELGAFITPIDITADKI
NRTIGFDLSQNDIVTIFNQLGFDTEINDDVITVLVPSRRKDITIKEDLIEEVARIYGYDD
IPSTLPVFDKVTSGQLTDRQYKTRMVKEVLEGAGLDQAITYSLVSKEDATAFSMQQRQTI
DLLMPMSEAHASLRQSLLPHLIEVASYNVARKNKDVKLFEIGNVFFANGEGELPDQVEYL
SGILTGDYVVNQWQGKKETVDFYLAKGVVDRVSEKLNLEFSYRRADIDGLHPGRTAEILL
ENKVVGFIGELHPTLAADNDLKRTYVFELNFDALMAVSVGYINYQPIPRFPGMSRDIALE
VDQNIPAADLLSTIHAHGGNILKDTLVFDVYQGEHLEKGKKSIAIRLNYLDTEETLTDER
VSKVQAEIEAALIEQGAVIR
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| BDBM18112 |
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| BDBM18073 |
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| Name | BDBM18112 |
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| Synonyms: | 4-[2-({[2-(4-bromothiophen-2-yl)-2-hydroxyethyl]amino}methyl)phenoxy]-N-[(methylcarbamoyl)methyl]butanamide | ethanolamine, 57 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H26BrN3O4S |
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| Mol. Mass. | 484.407 |
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| SMILES | CNC(=O)CNC(=O)CCCOc1ccccc1CNCC(O)c1cc(Br)cs1 |
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| Structure | 
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