| Reaction Details |
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 | Report a problem with these data |
| Target | Xanthine dehydrogenase/oxidase |
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| Ligand | BDBM50320491 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1296864 (CHEMBL3129614) |
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| IC50 | 4.0±n/a nM |
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| 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 Lett24:1315-21 (2014) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Xanthine dehydrogenase/oxidase |
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| Name: | Xanthine dehydrogenase/oxidase |
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| Synonyms: | XD | XDH_RAT | XO | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidoreductase | Xdh |
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| Type: | PROTEIN |
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| Mol. Mass.: | 146252.77 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_1296864 |
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| Residue: | 1331 |
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| Sequence: | MTADELVFFVNGKKVVEKNADPETTLLVYLRRKLGLCGTKLGCGEGGCGACTVMISKYDR
LQNKIVHFSVNACLAPICSLHHVAVTTVEGIGNTQKLHPVQERIARSHGSQCGFCTPGIV
MSMYTLLRNQPEPTVEEIENAFQGNLCRCTGYRPILQGFRTFAKDGGCCGGSGNNPNCCM
NQTKDQTVSLSPSLFNPEDFKPLDPTQEPIFPPELLRLKDTPQKKLRFEGERVTWIQAST
MEELLDLKAQHPDAKLVVGNTEIGIEMKFKNMLFPLIVCPAWIPELNSVVHGPEGISFGA
SCPLSLVESVLAEEIAKLPEQKTEVFRGVMEQLRWFAGKQVKSVASIGGNIITASPISDL
NPVFMASGAKLTLVSRGTRRTVRMDHTFFPGYRKTLLRPEEILLSIEIPYSKEGEFFSAF
KQASRREDDIAKVTSGMRVLFKPGTIEVQELSLCFGGMADRTISALKTTPKQLSKSWNEE
LLQSVCAGLAEELQLAPDAPGGMVEFRRTLTLSFFFKFYLTVLQKLGRADLEDMCGKLDP
TFASATLLFQKDPPANVQLFQEVPKDQSEEDMVGRPLPHLAANMQASGEAVYCDDIPRYE
NELSLRLVTSTRAHAKITSIDTSEAKKVPGFVCFLTAEDVPNSNATGLFNDETVFAKDEV
TCVGHIIGAVVADTPEHAQRAARGVKITYEDLPAIITIQDAINNNSFYGSEIKIEKGDLK
KGFSEADNVVSGELYIGGQEHFYLETNCTIAVPKGEAGEMELFVSTQNTMKTQSFVAKML
GVPDNRIVVRVKRMGGGFGGKETRSTVVSTALALAAHKTGRPVRCMLDRDEDMLITGGRH
PFLAKYKVGFMKTGTVVALEVAHFSNGGNTEDLSRSIMERALFHMDNAYKIPNIRGTGRI
CKTNLPSNTAFRGFGGPQGMLIAEYWMSEVAITCGLPAEEVRRKNMYKEGDLTHFNQKLE
GFTLPRCWDECIASSQYLARKREVEKFNRENCWKKRGLCIIPTKFGISFTLPFLNQGGAL
VHVYTDGSVLLTHGGTEMGQGLHTKMVQVASRALKIPTSKIHISETSTNTVPNTSPTAAS
ASADLNGQGVYEACQTILKRLEPFKKKKPTGPWEAWVMDAYTSAVSLSATGFYKTPNLGY
SFETNSGNPFHYFSYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFV
QGLGLFTMEELHYSPEGSLHTRGPSTYKIPAFGSIPIEFRVSLLRDCPNKRAIYASKAVG
EPPLFLASSIFFAIKDAIRAARAQHGDNAKQLFQLDSPATPEKIRNACVDQFTTLCVTGV
PENCKSWSVRI
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| BDBM50320491 |
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| n/a |
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| Name | BDBM50320491 |
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| Synonyms: | 2-(3-CYANO-4-ISOBUTOXY-PHENYL)-4-METHYL-5-THIAZOLE-CARBOXYLIC ACID | CHEMBL1164729 | FEBUXOSTAT | US11744839, Compound of formula 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H16N2O3S |
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| Mol. Mass. | 316.375 |
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| SMILES | CC(C)COc1ccc(cc1C#N)-c1nc(C)c(s1)C(O)=O |
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| Structure | 
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