Reaction Details Report a problem with these data
Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM37953
Substrate
n/a
Meas. Tech.
xanthine oxidase activity
IC50
>300000±0 nM
Citation
 Warrell, Jr., RP; Piwinski, JJ Bifunctional compounds and use for reducing uric acid levels US Patent  US10093658 Publication Date 10/9/2018 
Target
Name:
Xanthine dehydrogenase/oxidase
Synonyms:
XD | XDH | XDHA | XDH_HUMAN | XO | Xanthine dehydrogenase | Xanthine dehydrogenase/oxidase | Xanthine oxidase
Type:
Enzyme
Mol. Mass.:
146441.21
Organism:
Homo sapiens (Human)
Description:
P47989
Residue:
1333
Sequence:
MTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGACTVMLSKYDRLQNKIVHFSANACLAPICSLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGIVMSMYTLLRNQPEPTMEEIENAFQGNLCRCTGYRPILQGFRTFARDGGCCGGDGNNPNCCMNQKKDHSVSLSPSLFKPEEFTPLDPTQEPIFPPELLRLKDTPRKQLRFEGERVTWIQASTLKELLDLKAQHPDAKLVVGNTEIGIEMKFKNMLFPMIVCPAWIPELNSVEHGPDGISFGAACPLSIVEKTLVDAVAKLPAQKTEVFRGVLEQLRWFAGKQVKSVASVGGNIITASPISDLNPVFMASGAKLTLVSRGTRRTVQMDHTFFPGYRKTLLSPEEILLSIEIPYSREGEYFSAFKQASRREDDIAKVTSGMRVLFKPGTTEVQELALCYGGMANRTISALKTTQRQLSKLWKEELLQDVCAGLAEELHLPPDAPGGMVDFRCTLTLSFFFKFYLTVLQKLGQENLEDKCGKLDPTFASATLLFQKDPPADVQLFQEVPKGQSEEDMVGRPLPHLAADMQASGEAVYCDDIPRYENELSLRLVTSTRAHAKIKSIDTSEAKKVPGFVCFISADDVPGSNITGICNDETVFAKDKVTCVGHIIGAVVADTPEHTQRAAQGVKITYEELPAIITIEDAIKNNSFYGPELKIEKGDLKKGFSEADNVVSGEIYIGGQEHFYLETHCTIAVPKGEAGEMELFVSTQNTMKTQSFVAKMLGVPANRIVVRVKRMGGGFGGKETRSTVVSTAVALAAYKTGRPVRCMLDRDEDMLITGGRHPFLARYKVGFMKTGTVVALEVDHFSNVGNTQDLSQSIMERALFHMDNCYKIPNIRGTGRLCKTNLPSNTAFRGFGGPQGMLIAECWMSEVAVTCGMPAEEVRRKNLYKEGDLTHFNQKLEGFTLPRCWEECLASSQYHARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGALLHVYTDGSVLLTHGGTEMGQGLHTKMVQVASRALKIPTSKIYISETSTNTVPNTSPTAASVSADLNGQAVYAACQTILKRLEPYKKKNPSGSWEDWVTAAYMDTVSLSATGFYRTPNLGYSFETNSGNPFHYFSYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFVQGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPIEFRVSLLRDCPNKKAIYASKAVGEPPLFLAASIFFAIKDAIRAARAQHTGNNVKELFRLDSPATPEKIRNACVDKFTTLCVTGVPENCKPWSVRV
  
Inhibitor
Name:
BDBM37953
Synonyms:
US10093631, Compound Lesinurad | US10336710, Lesinurad | US10752613, Compound Lesinurad | US11020397, Compound Lesinurad | US11149013, Compound lesinurad | US11161835, Compound Lesinurad
Type:
Small organic molecule
Emp. Form.:
C17H14BrN3O2S
Mol. Mass.:
404.281
SMILES:
OC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12 |(-2.97,1.02,;-1.83,-.01,;-2.15,-1.52,;-.36,.46,;-.04,1.97,;1.42,2.45,;1.9,3.91,;3.44,3.91,;3.91,2.45,;5.38,1.97,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;3.44,-5.95,;1.9,-5.95,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,)|
Structure:
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