Reaction Details Report a problem with these data
Target
Urease [D459Y,K653P]
Ligand
BDBM152767
Substrate
n/a
Meas. Tech.
In vitro Urease Inhibition Assay
pH
8.2±n/a
IC50
7.51e+4±n/a nM
Comments
extracted
Citation
 Saeed, A; Imran, A; Channar, PA; Shahid, M; Mahmood, W; Iqbal, J 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors. Chem Biol Drug Des 85:225-30 (2015) [PubMed]  Article 
Target
Name:
Urease [D459Y,K653P]
Synonyms:
UREA_CANEN | Urea amidohydrolase | Urease
Type:
Protein
Mol. Mass.:
90763.23
Organism:
Canavalia ensiformis (Jack bean)
Description:
P07374[D459Y,K653P]
Residue:
840
Sequence:
MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCLGQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPSLDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYLTFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAAMHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLAEIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIKDGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAISSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDYLPLNFGFTGKGSSSKPDELHEIIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRTIHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIPEDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADPMKAQTGPLKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMVIKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGLNKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
  
Inhibitor
Name:
BDBM152767
Synonyms:
[(E)-{2-[4-(benzyloxy)-3-methoxyphenyl]ethylidene}amino]thiourea (3l)
Type:
Small organic molecule
Emp. Form.:
C17H19N3O2S
Mol. Mass.:
329.417
SMILES:
COc1cc(C\C=N\NC(N)=S)ccc1OCc1ccccc1
Structure:
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