| Reaction Details |
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 | Report a problem with these data |
| Target | Urease |
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| Ligand | BDBM91645 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibition Assay |
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| IC50 | 9.374e+4± 79 nM |
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| Citation |  Ansari, FL; Wadood, A; Ullah, A; Iftikhar, F; Ul-Haq, Z In silico studies of urease inhibitors to explore ligand-enzyme interactions. J Enzyme Inhib Med Chem24:151-6 (2009) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Urease |
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| Name: | Urease |
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| Synonyms: | UREA_CANEN | Urea amidohydrolase |
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| Type: | Enzyme |
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| Mol. Mass.: | 90746.20 |
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| Organism: | Canavalia ensiformis (Jack bean) (Horse bean) |
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| Description: | P07374 |
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| Residue: | 840 |
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| Sequence: | MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCL
GQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPS
LDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYL
TFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAA
MHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLA
EIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIK
DGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAI
SSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDDLPLNFGFTGKGSSSKPDELHE
IIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRT
IHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIP
EDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADKMKAQTGP
LKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMV
IKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGL
NKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
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| BDBM91645 |
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| n/a |
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| Name | BDBM91645 |
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| Synonyms: | 2,3,4,5-Tetrahydro-1,5-benzothiazepine analog (2S,4R), 7 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H18FNOS |
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| Mol. Mass. | 351.437 |
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| SMILES | Oc1ccccc1C1CC(Sc2ccccc2N1)c1ccc(F)cc1 |
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| Structure | 
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