Reaction Details Report a problem with these data
Target
Urease
Ligand
BDBM181090
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
6.8±n/a
Temperature
303.15±n/a K
IC50
2.1e+3± 2.4e+2 nM
Comments
extracted
Citation
 Taha, M; Ismail, NH; Imran, S; Wadood, A; Rahim, F; Khan, KM; Riaz, M Hybrid benzothiazole analogs as antiurease agent: Synthesis and molecular docking studies. Bioorg Chem 66:80-7 (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:
BDBM181090
Synonyms:
2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(3,4-dichlorophenyl)hydrazinecarbothioamide (16) | 2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(4-(trifluoromethyl)phenyl)hydrazine-carbothioamide (17)
Type:
Small organic molecule
Emp. Form.:
C21H14Cl2N4OS2
Mol. Mass.:
473.398
SMILES:
Clc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3ccccc3s2)cc1Cl
Structure:
Search PDB for entries with ligand similarity: