| Reaction Details |
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 | Report a problem with these data |
| Target | Urease [D459Y,K653P] |
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| Ligand | BDBM50099857 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Urease Inhibition Assay |
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| pH | 8.2±n/a |
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| Temperature | 310.15±n/a K |
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| IC50 | 4.32e+4± 2.6e+3 nM |
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| Comments | extracted |
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| Citation |  Saeed, A; Khan, MS; Rafique, H; Shahid, M; Iqbal, J Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors. Bioorg Chem52:1-7 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Urease [D459Y,K653P] |
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| Name: | Urease [D459Y,K653P] |
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| Synonyms: | UREA_CANEN | Urea amidohydrolase | Urease |
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| Type: | Protein |
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| Mol. Mass.: | 90763.23 |
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| Organism: | Canavalia ensiformis (Jack bean) |
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| Description: | P07374[D459Y,K653P] |
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| Residue: | 840 |
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| Sequence: | MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCL
GQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPS
LDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYL
TFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAA
MHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLA
EIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIK
DGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAI
SSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDYLPLNFGFTGKGSSSKPDELHE
IIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRT
IHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIP
EDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADPMKAQTGP
LKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMV
IKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGL
NKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
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| BDBM50099857 |
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| n/a |
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| Name | BDBM50099857 |
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| Synonyms: | ACETOHYDROXAMIC ACID (AHA) | AHA | Acethydroxamsaeure | Acethydroxamsaure | Acetic acid, oxime | Acetylhydroxamic acid | Cetohyroxamic acid | Lithostat | Methylhydroxamic acid | N-Acetyl hydroxyacetamide | N-Acetylhydroxylamine | N-Hydroxyacetamide | acetohydroxamic acid |
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| Type | Small organic molecule |
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| Emp. Form. | C2H5NO2 |
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| Mol. Mass. | 75.0666 |
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| SMILES | CC(=O)NO |
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| Structure | 
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