Reaction Details  Report a problem with these data
Target
Urease
Ligand
BDBM181094
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
6.8±n/a
Temperature
303.15±n/a K
IC50
1.914e+4± 1.10e+3 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:
BDBM181094
Synonyms:
2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-phenylhydrazinecarbothioamide (20)
Type:
Small organic molecule
Emp. Form.:
C21H16N4OS2
Mol. Mass.:
404.508
SMILES:
O=C(NNC(=S)Nc1ccccc1)c1ccc(cc1)-c1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: