Reaction Details |
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Target | Phenylalanine--tRNA ligase alpha/beta subunit |
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Ligand | BDBM18103 |
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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 | 250±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 |
Synonyms: | tRNA synthetase (PheRS) |
Type: | Tetramer of two alpha and two beta chains. |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 4 components. |
Component 1 |
Name: | Phenylalanine--tRNA ligase alpha subunit |
Synonyms: | Phenylalanine--tRNA ligase alpha chain | SYFA_STRPN | pheS | tRNA synthetase (PheRS) alpha chain |
Type: | Enzyme Subunit |
Mol. Mass.: | 39095.16 |
Organism: | Streptococcus pneumoniae |
Description: | n/a |
Residue: | 348 |
Sequence: | MSTIEEQLKALREETLASLKQITAGNEKEMQDLRVSVLGKKGSLTEILKGMKDVSAEMRP
IIGKHVNEARDVLTAAFEETAKLLEEKKVAAQLASESIDVTLPGRPVATGHRHVLTQTSE
EIEDIFIGMGYQVVDGFEVEQDYYNFERMNLPKDHPARDMQDTFYITEEILLRTHTSPVQ
ARAMDAHDFSKGPLKMISPGRVFRRDTDDATHSHQFHQIEGLVVGKNISMADLQGTLQLI
VQKMFGEERQIRLRPSYFPFTEPSVEVDVSCFKCGGEGCNVCKKTGWIEIMGAGMVHPRV
LEMSGIDATVYSGFAFGLGQERVAMLRYGINDIRGFYQGDVRFSEQFK
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Component 2 |
Name: | Phenylalanine--tRNA ligase alpha subunit |
Synonyms: | Phenylalanine--tRNA ligase alpha chain | SYFA_STRPN | pheS | tRNA synthetase (PheRS) alpha chain |
Type: | Enzyme Subunit |
Mol. Mass.: | 39095.16 |
Organism: | Streptococcus pneumoniae |
Description: | n/a |
Residue: | 348 |
Sequence: | MSTIEEQLKALREETLASLKQITAGNEKEMQDLRVSVLGKKGSLTEILKGMKDVSAEMRP
IIGKHVNEARDVLTAAFEETAKLLEEKKVAAQLASESIDVTLPGRPVATGHRHVLTQTSE
EIEDIFIGMGYQVVDGFEVEQDYYNFERMNLPKDHPARDMQDTFYITEEILLRTHTSPVQ
ARAMDAHDFSKGPLKMISPGRVFRRDTDDATHSHQFHQIEGLVVGKNISMADLQGTLQLI
VQKMFGEERQIRLRPSYFPFTEPSVEVDVSCFKCGGEGCNVCKKTGWIEIMGAGMVHPRV
LEMSGIDATVYSGFAFGLGQERVAMLRYGINDIRGFYQGDVRFSEQFK
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Component 3 |
Name: | Phenylalanine--tRNA ligase beta subunit |
Synonyms: | Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STRPN | pheT | tRNA synthetase (PheRS) beta chain |
Type: | Enzyme Subunit |
Mol. Mass.: | 87113.33 |
Organism: | Streptococcus pneumoniae |
Description: | n/a |
Residue: | 801 |
Sequence: | MLVSYKWLKELVDIDVPSQELAEKMSTTGIEVEGVESPAAGLSKIVVGEVLSCEDVPETH
LHVCQINVGEEEERQIVCGAPNVRAGIKVMVALPGARIADNYKIKKGKIRGLESLGMICS
LGELGISDSVVPKEFADGIQILPEDAVPGEEVFSYLDLDDEIIELSITPNRADALSMCGV
AHEVAAIYDKAVNFKKFTLTETNEAAADALSVSIETDKAPYYAARILDNVTIAPSPQWLQ
NLLMNEGIRPINNVVDVTNYILLYFGQPMHAFDLDTFEGTDIRVREARDGEKLVTLDGEE
RDLAETDLVITVADKPVALAGVMGGQATEISEKSSRVILEAAVFNGKSIRKTSGRLNLRS
ESSSRFEKGINVATVNEALDAAASMIAELAGATVRKGIVSAGELDTSDVEVSSTLADVNR
VLGTELSYADVEDVFRRLGFGLSGNADSFTVSVPRRRWDITIEADLFEEIARIYGYDRLP
TSLPKDDGTAGELTVIQKLRRQVRTIAEGAGLTEIITYALTTPEKAVEFTAQPSNLTELM
WPMTVDRSVLRQNMISGILDTVAYNVARKNKNLALYEIGKVFEQTGNPKEELPNEINSFA
FALTGLVAEKDFQTAAVPVDFFYAKGILEALFTRLGLQVTYTATSEIVSLHPGRTAVISL
GDQVLGFLGQVHPVTAKAYDIPETYVAELNLSAIEGALQPAVPFVEITKFPAVSRDVALL
LKAEVTHQEVVDAIQAAGVKRLTDIKLFDVFSGEKLGLGMKSMAYSLTFQNPEDSLTDEE
VARYMEKIQASLEEKVNAEVR
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Component 4 |
Name: | Phenylalanine--tRNA ligase beta subunit |
Synonyms: | Phenylalanine--tRNA ligase beta chain | Phenylalanyl-tRNA synthetase beta chain | SYFB_STRPN | pheT | tRNA synthetase (PheRS) beta chain |
Type: | Enzyme Subunit |
Mol. Mass.: | 87113.33 |
Organism: | Streptococcus pneumoniae |
Description: | n/a |
Residue: | 801 |
Sequence: | MLVSYKWLKELVDIDVPSQELAEKMSTTGIEVEGVESPAAGLSKIVVGEVLSCEDVPETH
LHVCQINVGEEEERQIVCGAPNVRAGIKVMVALPGARIADNYKIKKGKIRGLESLGMICS
LGELGISDSVVPKEFADGIQILPEDAVPGEEVFSYLDLDDEIIELSITPNRADALSMCGV
AHEVAAIYDKAVNFKKFTLTETNEAAADALSVSIETDKAPYYAARILDNVTIAPSPQWLQ
NLLMNEGIRPINNVVDVTNYILLYFGQPMHAFDLDTFEGTDIRVREARDGEKLVTLDGEE
RDLAETDLVITVADKPVALAGVMGGQATEISEKSSRVILEAAVFNGKSIRKTSGRLNLRS
ESSSRFEKGINVATVNEALDAAASMIAELAGATVRKGIVSAGELDTSDVEVSSTLADVNR
VLGTELSYADVEDVFRRLGFGLSGNADSFTVSVPRRRWDITIEADLFEEIARIYGYDRLP
TSLPKDDGTAGELTVIQKLRRQVRTIAEGAGLTEIITYALTTPEKAVEFTAQPSNLTELM
WPMTVDRSVLRQNMISGILDTVAYNVARKNKNLALYEIGKVFEQTGNPKEELPNEINSFA
FALTGLVAEKDFQTAAVPVDFFYAKGILEALFTRLGLQVTYTATSEIVSLHPGRTAVISL
GDQVLGFLGQVHPVTAKAYDIPETYVAELNLSAIEGALQPAVPFVEITKFPAVSRDVALL
LKAEVTHQEVVDAIQAAGVKRLTDIKLFDVFSGEKLGLGMKSMAYSLTFQNPEDSLTDEE
VARYMEKIQASLEEKVNAEVR
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BDBM18103 |
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BDBM18073 |
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Name | BDBM18103 |
Synonyms: | 2-({[2-(1H-1,3-benzodiazol-2-ylmethoxy)phenyl]methyl}amino)-1-(4-bromothiophen-2-yl)ethan-1-ol | ethanolamine, 48 |
Type | Small organic molecule |
Emp. Form. | C21H20BrN3O2S |
Mol. Mass. | 458.371 |
SMILES | OC(CNCc1ccccc1OCc1nc2ccccc2[nH]1)c1cc(Br)cs1 |
Structure |
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