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Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM50242779
Substrate
n/a
Meas. Tech.
ChEMBL_532316 (CHEMBL973239)
IC50
>100000±n/a nM
Citation
 Gupta, S; Rodrigues, LM; Esteves, AP; Oliveira-Campos, AM; Nascimento, MS; Nazareth, N; Cidade, H; Neves, MP; Fernandes, E; Pinto, M; Cerqueira, NM; Brás, N Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors. Eur J Med Chem 43:771-80 (2008) [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:
BDBM50242779
Synonyms:
CHEMBL518487 | N-(2'',3'',4'',6''-Tetra-O-acetyl-b-D-glucopyranosyl)-5-amino-1-(4'-carboxyphenyl)-1H-pyrazole-4-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C25H26N4O11
Mol. Mass.:
558.4941
SMILES:
CC(=O)OC[C@H]1O[C@@H](Nc2c(cnn2-c2ccc(cc2)C(O)=O)C#N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Structure:
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