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Target
Urease
Ligand
BDBM50123230
Substrate
n/a
Meas. Tech.
ChEMBL_1520796 (CHEMBL3625950)
IC50
120±n/a nM
Citation
 Naureen, S; Chaudhry, F; Asif, N; Munawar, MA; Ashraf, M; Nasim, FH; Arshad, H; Khan, MA Discovery of indole-based tetraarylimidazoles as potent inhibitors of urease with low antilipoxygenase activity. Eur J Med Chem 102:464-70 (2015) [PubMed]  Article 
Target
Name:
Urease
Synonyms:
UREA_CANEN | Urea amidohydrolase
Type:
Enzyme
Mol. Mass.:
90746.20
Organism:
Jack bean
Description:
P07374
Residue:
840
Sequence:
MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCLGQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPSLDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYLTFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAAMHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLAEIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIKDGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAISSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDDLPLNFGFTGKGSSSKPDELHEIIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRTIHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIPEDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADKMKAQTGPLKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMVIKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGLNKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
  
Inhibitor
Name:
BDBM50123230
Synonyms:
CHEMBL3622691
Type:
Small organic molecule
Emp. Form.:
C37H26F3N3
Mol. Mass.:
569.6176
SMILES:
Cc1ccc(cc1)-n1c(nc(c1-c1ccccc1)-c1ccccc1)-c1c([nH]c2ccccc12)-c1ccc(cc1)C(F)(F)F |(-4.39,4.71,;-3.17,4.53,;-2.6,3.1,;-1.08,2.88,;-.13,4.08,;-.69,5.52,;-2.22,5.74,;1.41,3.98,;2.23,2.7,;3.72,3.05,;3.83,4.58,;2.4,5.16,;2.03,6.66,;3.05,7.8,;2.57,9.26,;1.06,9.58,;.04,8.43,;.52,6.97,;5.14,5.4,;6.54,4.78,;7.78,5.69,;7.62,7.22,;6.21,7.84,;4.97,6.93,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;8.8,-.29,;9.49,.73,;9.35,-1.4,;10.03,-.38,)|
Structure:
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