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Target
Urease [D459Y,K653P]
Ligand
BDBM57806
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
8.2±n/a
IC50
283± 21 nM
Comments
extracted
Citation
 Hameed, A; Khan, KM; Zehra, ST; Ahmed, R; Shafiq, Z; Bakht, SM; Yaqub, M; Hussain, M; de la Vega de León, A; Furtmann, N; Bajorath, J; Shad, HA; Tahir, MN; Iqbal, J Synthesis, biological evaluation and molecular docking of N-phenyl thiosemicarbazones as urease inhibitors. Bioorg Chem 61:51-7 (2015) [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:
BDBM57806
Synonyms:
1-[1-(1-benzofuran-2-yl)ethylideneamino]-3-(3-methylphenyl)thiourea | 1-[1-(2-benzofuranyl)ethylideneamino]-3-(3-methylphenyl)thiourea | 1-[1-(benzofuran-2-yl)ethylideneamino]-3-(m-tolyl)thiourea | MLS000391554 | SMR000260589 | cid_4157752
Type:
Small organic molecule
Emp. Form.:
C18H17N3OS
Mol. Mass.:
323.412
SMILES:
CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2|
Structure:
Search PDB for entries with ligand similarity: