| Reaction Details |
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 | Report a problem with these data |
| Target | Urease subunit alpha/beta/gamma |
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| Ligand | BDBM24970 |
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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 | 135000±6000 nM |
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| IC50 | 450000±5400 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 |
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| Synonyms: | Urea Amidohydrolase | Urease |
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| Type: | Heterotrimer of ureA, ureB and ureC subunits. Three heterotrimers associate to form the active enzyme. |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Urease subunit alpha |
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| Synonyms: | URE1_SPOPA | Urea Amidohydrolase Subunit alpha | Urease | ureC |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 61384.55 |
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| Organism: | Bacillus pasteurii |
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| Description: | n/a |
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| Residue: | 569 |
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| Sequence: | MKINRQQYAESYGPTVGDRVRLADTDLGEVEKDYYYLGDEVNFGGGKVLREGMGENGTYT
RTENVLDLLLTNALILDYTGIYKADIGVKDGYIVGIGKGGNPDIMDGVTPNMIVGTATEV
IAAEGKIVTAGGIDTHVHFINPDQVDVALANGITTLFGGGTGPAEGSKATTVTPGPWNIE
KMLKSTEGLPINVGILGKGHGSSIAPIMEQIDAGAAGLKIHEDWGATPASIDRSLTVADE
ADVQVAIHSDTLNEAGFLEDTVRAINGRVIHSFHVEGAGGGHAPDIMAMAGHPNVLPSST
NPTRPFTVNTIDEHLDMLMVCHHLKQNIPEDVAFADSRIRPETIAAEDILHDLGIISMMS
TDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDNFRLKRYVSKYTINPAIAQGMA
HEVGSIEEGKFADLVLWEPKFFGVKADRVIKGGIIAYAQIGDPSASIPTPQPVMGRRMYG
TVGDLIHDTNITFMSKSSIQQGVPAKLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINP
ETYEVKVDGEVLTCEPVKELPMAQRYFLF
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| Component 2 |
| Name: | Urease subunit beta |
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| Synonyms: | URE2_SPOPA | Urea Amidohydrolase Subunit beta | ureB |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 13952.35 |
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| Organism: | Bacillus pasteurii |
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| Description: | n/a |
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| Residue: | 126 |
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| Sequence: | MSNNNYIVPGEYRVAEGEIEINAGREKTTIRVSNTGDRPIQVGSHIHFVEVNKELLFDRA
EGIGRRLNIPSGTAARFEPGEEMEVELTELGGNREVFGISDLTNGSVDNKELILQRAKEL
GYKGVE
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| Component 3 |
| Name: | Urease subunit gamma |
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| Synonyms: | URE3_SPOPA | Urea Amidohydrolase Subunit gamma | ureA |
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| Type: | Enzyme Subunit |
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| Mol. Mass.: | 11143.34 |
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| Organism: | Bacillus pasteurii |
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| Description: | n/a |
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| Residue: | 100 |
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| Sequence: | MHLNPAEKEKLQIFLASELLLRRKARGLKLNYPEAVAIITSFIMEGARDGKTVAMLMEEG
KHVLTRDDVMEGVPEMIDDIQAEATFPDGTKLVTVHNPIS
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| BDBM24970 |
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| BDBM24961 |
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| Name | BDBM24970 |
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| Synonyms: | [(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](methyl)phosphinic acid | organophosphorus derivative, 20 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H17N2O5P |
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| Mol. Mass. | 300.2475 |
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| SMILES | CP(O)(=O)CNC(=O)CNC(=O)OCc1ccccc1 |
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| Structure | 
|
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