Reaction Details |
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Target | Urease |
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Ligand | BDBM53627 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_774847 (CHEMBL1913189) |
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Ki | 127±n/a nM |
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Citation | Aslam, MA; Mahmood, SU; Shahid, M; Saeed, A; Iqbal, J Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors. Eur J Med Chem46:5473-9 (2011) [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 |
Synonyms: | UREA_CANEN | Urea amidohydrolase |
Type: | Enzyme |
Mol. Mass.: | 90746.20 |
Organism: | Canavalia ensiformis (Jack bean) (Horse bean) |
Description: | P07374 |
Residue: | 840 |
Sequence: | MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCL
GQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPS
LDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYL
TFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAA
MHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLA
EIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIK
DGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAI
SSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDDLPLNFGFTGKGSSSKPDELHE
IIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRT
IHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIP
EDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADKMKAQTGP
LKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMV
IKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGL
NKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
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BDBM53627 |
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n/a |
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Name | BDBM53627 |
Synonyms: | 1-[[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | CHEMBL1910223 | MLS000713483 | SMR000272964 | [[(E)-(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | [[(E)-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea | [[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea | cid_5757029 |
Type | Small organic molecule |
Emp. Form. | C8H9N3O2S |
Mol. Mass. | 211.241 |
SMILES | NC(=S)NN=Cc1cccc(O)c1O |w:4.3| |
Structure |
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