Reaction Details  Report a problem with these data
Target
Urease
Ligand
BDBM60592
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
6.8±n/a
Temperature
303.15±n/a K
IC50
1.6e+3± 1.0e+2 nM
Comments
extracted
Citation
 Taha, M; Ismail, NH; Imran, S; Wadood, A; Rahim, F; Khan, KM; Riaz, M Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies. Bioorg Chem 66:80-7 (2016) [PubMed]  Article
Target
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:
MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCLGQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPSLDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYLTFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAAMHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLAEIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIKDGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAISSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDDLPLNFGFTGKGSSSKPDELHEIIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRTIHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIPEDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADKMKAQTGPLKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMVIKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGLNKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
  
Inhibitor
Name:
BDBM60592
Synonyms:
2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-(trifluoromethyl)phenyl)hydrazine-carbothioamide (17)
Type:
n/a
Emp. Form.:
C22H15F3N4OS2
Mol. Mass.:
472.506
SMILES:
FC(F)(F)c1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1
Structure:
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