Reaction Details Report a problem with these data
Target
Urease
Ligand
BDBM181092
Substrate
n/a
Meas. Tech.
Urease Inhibition Assay
pH
6.8±n/a
Temperature
303.15±n/a K
IC50
1.760e+4± 9.8e+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:
BDBM181092
Synonyms:
2-(4-(benzo[d]thiazol-2-yl)benzoyl)-N-(2-methoxyphenyl)hydrazinecarbothioamide (18) | N-(adamantan-1-yl)-2-(4-(benzo[d]thiazol-2-yl)benzoyl)hydrazinecarbothioamide (19)
Type:
Small organic molecule
Emp. Form.:
C22H18N4O2S2
Mol. Mass.:
434.534
SMILES:
COc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: