Reaction Details Report a problem with these data
Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM50378419
Substrate
n/a
Meas. Tech.
ChEMBL_600479 (CHEMBL1046426)
IC50
70800±n/a nM
Citation
 Yang, LX; Huang, KX; Li, HB; Gong, JX; Wang, F; Feng, YB; Tao, QF; Wu, YH; Li, XK; Wu, XM; Zeng, S; Spencer, S; Zhao, Y; Qu, J Design, synthesis, and examination of neuron protective properties of alkenylated and amidated dehydro-silybin derivatives. J Med Chem 52:7732-52 (2009) [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:
BDBM50378419
Synonyms:
CHEMBL570882
Type:
Small organic molecule
Emp. Form.:
C33H32O14
Mol. Mass.:
652.5988
SMILES:
CCOC(=O)COc1cc(O)c2c(c1)oc(-c1ccc3OC(CO)C(Oc3c1)c1ccc(OCC(=O)OCC)c(OC)c1)c(O)c2=O
Structure:
Search PDB for entries with ligand similarity: