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TargetUrease
LigandBDBM53627
Substrate/Competitorn/a
Meas. Tech.ChEMBL_774847 (CHEMBL1913189)
Ki 127±n/a nM
Citation Aslam, MAMahmood, SUShahid, MSaeed, AIqbal, 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
More Info.:Get all data from this article,  Assay Method
 
Urease
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
n/a
NameBDBM53627
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
TypeSmall organic molecule
Emp. Form.C8H9N3O2S
Mol. Mass.211.241
SMILESNC(=S)NN=Cc1cccc(O)c1O |w:4.3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: