Reaction Details Report a problem with these data
Target
Urease [D459Y,K653P]
Ligand
BDBM152597
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
8.2±n/a
IC50
77± 1 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:
BDBM152597
Synonyms:
2-(1-(Benzofuran-2-yl)ethylidene)-N-(3-nitrophenyl)hydrazinecarbothioamide (3k)
Type:
Small organic molecule
Emp. Form.:
C17H14N4O3S
Mol. Mass.:
354.383
SMILES:
CC(=NNC(=S)Nc1cccc(c1)[N+]([O-])=O)c1cc2ccccc2o1 |w:2.2|
Structure:
Search PDB for entries with ligand similarity: