Reaction Details Report a problem with these data
Target
Urease
Ligand
BDBM91645
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
9.374e+4± 79 nM
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 Chem 24:151-6 (2009) [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:
BDBM91645
Synonyms:
2,3,4,5-Tetrahydro-1,5-benzothiazepine analog (2S,4R), 7
Type:
Small organic molecule
Emp. Form.:
C21H18FNOS
Mol. Mass.:
351.437
SMILES:
Oc1ccccc1C1CC(Sc2ccccc2N1)c1ccc(F)cc1
Structure:
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