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Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM50241853
Substrate
n/a
Meas. Tech.
ChEMBL_550760 (CHEMBL1006074)
IC50
19500±n/a nM
Citation
 Ye, YH; Zhu, HL; Song, YC; Liu, JY; Tan, RX Structural revision of aspernigrin A, reisolated from Cladosporium herbarum IFB-E002. J Nat Prod 68:1106-8 (2005) [PubMed]  Article
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:
BDBM50241853
Synonyms:
CHEMBL451678 | fonsecinone A
Type:
Small organic molecule
Emp. Form.:
C32H26O10
Mol. Mass.:
570.5428
SMILES:
COc1cc(OC)c2c(O)c3c(oc(C)cc3=O)c(-c3c(OC)cc4cc(O)c5c(oc(C)cc5=O)c4c3OC)c2c1 |(9.32,-12.21,;9.32,-10.66,;10.66,-9.9,;10.67,-8.34,;12.01,-7.58,;12.02,-6.04,;10.69,-5.26,;13.34,-8.36,;14.67,-7.6,;14.68,-6.05,;16,-8.37,;16.01,-9.91,;17.33,-10.68,;18.66,-9.9,;20,-10.66,;18.65,-8.36,;17.32,-7.6,;17.31,-6.06,;14.67,-10.68,;14.67,-12.22,;13.33,-12.99,;12,-12.21,;10.66,-12.98,;13.33,-14.53,;14.67,-15.3,;14.66,-16.84,;16,-17.61,;16,-19.15,;17.33,-16.83,;17.33,-15.29,;18.66,-14.52,;19.98,-15.3,;21.32,-14.53,;19.98,-16.83,;18.65,-17.59,;18.65,-19.13,;16,-14.53,;16,-12.99,;17.34,-12.22,;18.67,-12.99,;13.34,-9.91,;12.01,-10.67,)|
Structure:
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