Reaction Details |
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Target | Urease subunit alpha/beta/gamma |
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Ligand | BDBM24966 |
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Substrate/Competitor | BDBM24961 |
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Meas. Tech. | Enzyme Inhibition Assay |
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pH | 7±n/a |
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Temperature | 303.15±n/a K |
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Ki | 37000±3000 nM |
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IC50 | 150000±1400 nM |
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Citation | Vassiliou, S; Grabowiecka, A; Kosikowska, P; Yiotakis, A; Kafarski, P; Berlicki, L Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases. J Med Chem51:5736-44 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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Urease subunit alpha/beta/gamma |
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Name: | Urease subunit alpha/beta/gamma |
Synonyms: | Urea Amidohydrolase | Urease |
Type: | Heterotrimer of ureA, ureB and ureC subunits. Three heterotrimers associate to form the active enzyme. |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 3 components. |
Component 1 |
Name: | Urease subunit alpha |
Synonyms: | URE1_SPOPA | Urea Amidohydrolase Subunit alpha | Urease | ureC |
Type: | Enzyme Subunit |
Mol. Mass.: | 61384.55 |
Organism: | Bacillus pasteurii |
Description: | n/a |
Residue: | 569 |
Sequence: | MKINRQQYAESYGPTVGDRVRLADTDLGEVEKDYYYLGDEVNFGGGKVLREGMGENGTYT
RTENVLDLLLTNALILDYTGIYKADIGVKDGYIVGIGKGGNPDIMDGVTPNMIVGTATEV
IAAEGKIVTAGGIDTHVHFINPDQVDVALANGITTLFGGGTGPAEGSKATTVTPGPWNIE
KMLKSTEGLPINVGILGKGHGSSIAPIMEQIDAGAAGLKIHEDWGATPASIDRSLTVADE
ADVQVAIHSDTLNEAGFLEDTVRAINGRVIHSFHVEGAGGGHAPDIMAMAGHPNVLPSST
NPTRPFTVNTIDEHLDMLMVCHHLKQNIPEDVAFADSRIRPETIAAEDILHDLGIISMMS
TDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDNFRLKRYVSKYTINPAIAQGMA
HEVGSIEEGKFADLVLWEPKFFGVKADRVIKGGIIAYAQIGDPSASIPTPQPVMGRRMYG
TVGDLIHDTNITFMSKSSIQQGVPAKLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINP
ETYEVKVDGEVLTCEPVKELPMAQRYFLF
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Component 2 |
Name: | Urease subunit beta |
Synonyms: | URE2_SPOPA | Urea Amidohydrolase Subunit beta | ureB |
Type: | Enzyme Subunit |
Mol. Mass.: | 13952.35 |
Organism: | Bacillus pasteurii |
Description: | n/a |
Residue: | 126 |
Sequence: | MSNNNYIVPGEYRVAEGEIEINAGREKTTIRVSNTGDRPIQVGSHIHFVEVNKELLFDRA
EGIGRRLNIPSGTAARFEPGEEMEVELTELGGNREVFGISDLTNGSVDNKELILQRAKEL
GYKGVE
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Component 3 |
Name: | Urease subunit gamma |
Synonyms: | URE3_SPOPA | Urea Amidohydrolase Subunit gamma | ureA |
Type: | Enzyme Subunit |
Mol. Mass.: | 11143.34 |
Organism: | Bacillus pasteurii |
Description: | n/a |
Residue: | 100 |
Sequence: | MHLNPAEKEKLQIFLASELLLRRKARGLKLNYPEAVAIITSFIMEGARDGKTVAMLMEEG
KHVLTRDDVMEGVPEMIDDIQAEATFPDGTKLVTVHNPIS
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BDBM24966 |
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BDBM24961 |
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Name | BDBM24966 |
Synonyms: | organophosphorus derivative, 7 | {[(2S)-2-amino-3-hydroxypropanamido]methyl}(methyl)phosphinic acid |
Type | Small organic molecule |
Emp. Form. | C5H13N2O4P |
Mol. Mass. | 196.1415 |
SMILES | CP(O)(=O)CNC(=O)[C@@H](N)CO |r| |
Structure |
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