Reaction Details Report a problem with these data
Target
Urease
Ligand
BDBM178013
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
8.2±n/a
IC50
96± 6 nM
Comments
extracted
Citation
 Saeed, A; Mahmood, SU; Rafiq, M; Ashraf, Z; Jabeen, F; Seo, SY Iminothiazoline-Sulfonamide Hybrids as Jack Bean Urease Inhibitors; Synthesis, Kinetic Mechanism and Computational Molecular Modeling. Chem Biol Drug Des 87:434-43 (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:
BDBM178013
Synonyms:
(Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2(3H)-ylidene) benzamide (3a)
Type:
Small organic molecule
Emp. Form.:
C17H15N3O3S2
Mol. Mass.:
373.449
SMILES:
Cc1cs\c(=N/C(=O)c2ccccc2)n1-c1ccc(cc1)S(N)(=O)=O
Structure:
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