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Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM50320491
Substrate
n/a
Meas. Tech.
ChEMBL_1296864 (CHEMBL3129614)
IC50
4.0±n/a nM
Citation
 Evenäs, J; Edfeldt, F; Lepistö, M; Svitacheva, N; Synnergren, A; Lundquist, B; Gränse, M; Rönnholm, A; Varga, M; Wright, J; Wei, M; Yue, S; Wang, J; Li, C; Li, X; Chen, G; Liao, Y; Lv, G; Tjörnebo, A; Narjes, F HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase. Bioorg Med Chem Lett 24:1315-21 (2014) [PubMed]  Article 
Target
Name:
Xanthine dehydrogenase/oxidase
Synonyms:
XD | XDH_RAT | XO | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidoreductase | Xdh
Type:
PROTEIN
Mol. Mass.:
146252.77
Organism:
Rattus norvegicus
Description:
ChEMBL_1296864
Residue:
1331
Sequence:
MTADELVFFVNGKKVVEKNADPETTLLVYLRRKLGLCGTKLGCGEGGCGACTVMISKYDRLQNKIVHFSVNACLAPICSLHHVAVTTVEGIGNTQKLHPVQERIARSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIENAFQGNLCRCTGYRPILQGFRTFAKDGGCCGGSGNNPNCCMNQTKDQTVSLSPSLFNPEDFKPLDPTQEPIFPPELLRLKDTPQKKLRFEGERVTWIQASTMEELLDLKAQHPDAKLVVGNTEIGIEMKFKNMLFPLIVCPAWIPELNSVVHGPEGISFGASCPLSLVESVLAEEIAKLPEQKTEVFRGVMEQLRWFAGKQVKSVASIGGNIITASPISDLNPVFMASGAKLTLVSRGTRRTVRMDHTFFPGYRKTLLRPEEILLSIEIPYSKEGEFFSAFKQASRREDDIAKVTSGMRVLFKPGTIEVQELSLCFGGMADRTISALKTTPKQLSKSWNEELLQSVCAGLAEELQLAPDAPGGMVEFRRTLTLSFFFKFYLTVLQKLGRADLEDMCGKLDPTFASATLLFQKDPPANVQLFQEVPKDQSEEDMVGRPLPHLAANMQASGEAVYCDDIPRYENELSLRLVTSTRAHAKITSIDTSEAKKVPGFVCFLTAEDVPNSNATGLFNDETVFAKDEVTCVGHIIGAVVADTPEHAQRAARGVKITYEDLPAIITIQDAINNNSFYGSEIKIEKGDLKKGFSEADNVVSGELYIGGQEHFYLETNCTIAVPKGEAGEMELFVSTQNTMKTQSFVAKMLGVPDNRIVVRVKRMGGGFGGKETRSTVVSTALALAAHKTGRPVRCMLDRDEDMLITGGRHPFLAKYKVGFMKTGTVVALEVAHFSNGGNTEDLSRSIMERALFHMDNAYKIPNIRGTGRICKTNLPSNTAFRGFGGPQGMLIAEYWMSEVAITCGLPAEEVRRKNMYKEGDLTHFNQKLEGFTLPRCWDECIASSQYLARKREVEKFNRENCWKKRGLCIIPTKFGISFTLPFLNQGGALVHVYTDGSVLLTHGGTEMGQGLHTKMVQVASRALKIPTSKIHISETSTNTVPNTSPTAASASADLNGQGVYEACQTILKRLEPFKKKKPTGPWEAWVMDAYTSAVSLSATGFYKTPNLGYSFETNSGNPFHYFSYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFVQGLGLFTMEELHYSPEGSLHTRGPSTYKIPAFGSIPIEFRVSLLRDCPNKRAIYASKAVGEPPLFLASSIFFAIKDAIRAARAQHGDNAKQLFQLDSPATPEKIRNACVDQFTTLCVTGVPENCKSWSVRI
  
Inhibitor
Name:
BDBM50320491
Synonyms:
2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID | CHEMBL1164729 | FEBUXOSTAT | US11744839, Compound of formula 5
Type:
Small organic molecule
Emp. Form.:
C16H16N2O3S
Mol. Mass.:
316.375
SMILES:
CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O
Structure:
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