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Target
Urease
Ligand
BDBM50226816
Substrate
n/a
Meas. Tech.
ChEMBL_478538 (CHEMBL923500)
IC50
60256±n/a nM
Citation
 Zaheer-ul-Haq, na; Lodhi, MA; Ahmad Nawaz, S; Iqbal, S; Mohammed Khan, K; Rode, BM; Atta-ur-Rahman, A; Choudhary, MI 3D-QSAR CoMFA studies on bis-coumarine analogues as urease inhibitors: a strategic design in anti-urease agents. Bioorg Med Chem 16:3456-61 (2008) [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:
BDBM50226816
Synonyms:
4-Hydroxy-3-[(4-hydroxy-2-oxo-4a,8a-dihydro-2H-chromen-3-yl)-(4-methoxy-phenyl)-methyl]-chromen-2-one | 4-hydroxy-3-((4-hydroxy-2-oxo-2H-chromen-3-yl)(4-methoxyphenyl)methyl)-2H-chromen-2-one | CHEMBL238294
Type:
Small organic molecule
Emp. Form.:
C26H18O7
Mol. Mass.:
442.4169
SMILES:
COc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Structure:
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