| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Xanthine dehydrogenase/oxidase |
|---|
| Ligand | BDBM50449100 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_1296859 (CHEMBL3129609) |
|---|
| IC50 | 0.631000±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 Lett24:1315-21 (2014) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Xanthine dehydrogenase/oxidase |
|---|
| 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: | MTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGACTVMLSKYDR
LQNKIVHFSANACLAPICSLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGI
VMSMYTLLRNQPEPTMEEIENAFQGNLCRCTGYRPILQGFRTFARDGGCCGGDGNNPNCC
MNQKKDHSVSLSPSLFKPEEFTPLDPTQEPIFPPELLRLKDTPRKQLRFEGERVTWIQAS
TLKELLDLKAQHPDAKLVVGNTEIGIEMKFKNMLFPMIVCPAWIPELNSVEHGPDGISFG
AACPLSIVEKTLVDAVAKLPAQKTEVFRGVLEQLRWFAGKQVKSVASVGGNIITASPISD
LNPVFMASGAKLTLVSRGTRRTVQMDHTFFPGYRKTLLSPEEILLSIEIPYSREGEYFSA
FKQASRREDDIAKVTSGMRVLFKPGTTEVQELALCYGGMANRTISALKTTQRQLSKLWKE
ELLQDVCAGLAEELHLPPDAPGGMVDFRCTLTLSFFFKFYLTVLQKLGQENLEDKCGKLD
PTFASATLLFQKDPPADVQLFQEVPKGQSEEDMVGRPLPHLAADMQASGEAVYCDDIPRY
ENELSLRLVTSTRAHAKIKSIDTSEAKKVPGFVCFISADDVPGSNITGICNDETVFAKDK
VTCVGHIIGAVVADTPEHTQRAAQGVKITYEELPAIITIEDAIKNNSFYGPELKIEKGDL
KKGFSEADNVVSGEIYIGGQEHFYLETHCTIAVPKGEAGEMELFVSTQNTMKTQSFVAKM
LGVPANRIVVRVKRMGGGFGGKETRSTVVSTAVALAAYKTGRPVRCMLDRDEDMLITGGR
HPFLARYKVGFMKTGTVVALEVDHFSNVGNTQDLSQSIMERALFHMDNCYKIPNIRGTGR
LCKTNLPSNTAFRGFGGPQGMLIAECWMSEVAVTCGMPAEEVRRKNLYKEGDLTHFNQKL
EGFTLPRCWEECLASSQYHARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGA
LLHVYTDGSVLLTHGGTEMGQGLHTKMVQVASRALKIPTSKIYISETSTNTVPNTSPTAA
SVSADLNGQAVYAACQTILKRLEPYKKKNPSGSWEDWVTAAYMDTVSLSATGFYRTPNLG
YSFETNSGNPFHYFSYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAF
VQGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPIEFRVSLLRDCPNKKAIYASKAV
GEPPLFLAASIFFAIKDAIRAARAQHTGNNVKELFRLDSPATPEKIRNACVDKFTTLCVT
GVPENCKPWSVRV
|
|
|
|---|
| BDBM50449100 |
|---|
| n/a |
|---|
| Name | BDBM50449100 |
|---|
| Synonyms: | CHEMBL3127135 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C17H15F3N4O4 |
|---|
| Mol. Mass. | 396.3206 |
|---|
| SMILES | Nc1nc(-c2ccc(OCC3CCOC3)c(OC(F)(F)F)c2)c(C#N)c(=O)[nH]1 |
|---|
| Structure | 
|
|---|
Search and Browse
