Reaction Details Report a problem with these data
Target
Urease [D459Y,K653P]
Ligand
BDBM123717
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
Temperature
303.15±0 K
IC50
2.62e+4± 2.2e+3 nM
Citation
 Akhtar, T; Khan, MA; Iqbal, J; Jones, PG; Hameed, S A facile one-pot synthesis of 2-arylamino-5-aryloxylalkyl-1,3,4-oxadiazoles and their urease inhibition studies. Chem Biol Drug Des 84:92-8 (2014) [PubMed]  Article 
Target
Name:
Urease [D459Y,K653P]
Synonyms:
UREA_CANEN | Urea amidohydrolase | Urease
Type:
Protein
Mol. Mass.:
90763.23
Organism:
Canavalia ensiformis (Jack bean)
Description:
P07374[D459Y,K653P]
Residue:
840
Sequence:
MKLSPREVEKLGLHNAGYLAQKRLARGVRLNYTEAVALIASQIMEYARDGEKTVAQLMCLGQHLLGRRQVLPAVPHLLNAVQVEATFPDGTKLVTVHDPISRENGELQEALFGSLLPVPSLDKFAETKEDNRIPGEILCEDECLTLNIGRKAVILKVTSKGDRPIQVGSHYHFIEVNPYLTFDRRKAYGMRLNIAAGTAVRFEPGDCKSVTLVSIEGNKVIRGGNAIADGPVNETNLEAAMHAVRSKGFGHEEEKDASEGFTKEDPNCPFNTFIHRKEYANKYGPTTGDKIRLGDTNLLAEIEKDYALYGDECVFGGGKVIRDGMGQSCGHPPAISLDTVITNAVIIDYTGIIKADIGIKDGLIASIGKAGNPDIMNGVFSNMIIGANTEVIAGEGLIVTAGAIDCHVHYICPQLVYEAISSGITTLVGGGTGPAAGTRATTCTPSPTQMRLMLQSTDYLPLNFGFTGKGSSSKPDELHEIIKAGAMGLKLHEDWGSTPAAIDNCLTIAEHHDIQINIHTDTLNEAGFVEHSIAAFKGRTIHTYHSEGAGGGHAPDIIKVCGIKNVLPSSTNPTRPLTSNTIDEHLDMLMVCHHLDREIPEDLAFAHSRIRKKTIAAEDVLNDIGAISIISSDSQAMGRVGEVISRTWQTADPMKAQTGPLKCDSSDNDNFRIRRYIAKYTINPAIANGFSQYVGSVEVGKLADLVMWKPSFFGTKPEMVIKGGMVAWADIGDPNASIPTPEPVKMRPMYGTLGKAGGALSIAFVSKAALDQRVNVLYGLNKRVEAVSNVRKLTKLDMKLNDALPEITVDPESYTVKADGKLLCVSEATTVPLSRNYFLF
  
Inhibitor
Name:
BDBM123717
Synonyms:
2-(4-Methylphenyl)amino-5-(1-(4-chlorophenoxy)ethyl)-1,3,4-oxadiazole (3a)
Type:
Small organic molecule
Emp. Form.:
C17H16ClN3O2
Mol. Mass.:
329.781
SMILES:
CC(Oc1ccc(Cl)cc1)c1nnc(Nc2ccc(C)cc2)o1
Structure:
Search PDB for entries with ligand similarity: