Reaction Details Report a problem with these data
Target
Urease
Ligand
BDBM178019
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
8.2±n/a
IC50
81± 3 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:
BDBM178019
Synonyms:
(Z)-N-(3-(4-aminosulfonylphenyl)-4-methylthiazol-2(3H)-ylidene)-3-methoxybenzamide (3g)
Type:
Small organic molecule
Emp. Form.:
C18H17N3O4S2
Mol. Mass.:
403.475
SMILES:
COc1cccc(c1)C(=O)\N=c1/scc(C)n1-c1ccc(cc1)S(N)(=O)=O
Structure:
Search PDB for entries with ligand similarity: