Reaction Details Report a problem with these data
Target
Xanthine dehydrogenase/oxidase
Ligand
BDBM157981
Substrate
n/a
Meas. Tech.
Inhibition Assay
Temperature
298.15±n/a K
IC50
5±n/a nM
Comments
extracted
Citation
 Shimizu, K; Takigawa, Y; Fujikura, H; Iizuka, M; Hiratochi, M; Kikuchi, N 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same US Patent  US9023882 Publication Date 5/5/2015 
Target
Name:
Xanthine dehydrogenase/oxidase
Synonyms:
XDH | XDH_BOVIN | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidase (XO)
Type:
Protein
Mol. Mass.:
146809.00
Organism:
Bos taurus (Bovine)
Description:
P80457
Residue:
1332
Sequence:
MTADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGACTVMLSKYDRLQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGIVMSMYTLLRNQPEPTVEEIEDAFQGNLCRCTGYRPILQGFRTFAKNGGCCGGNGNNPNCCMNQKKDHTVTLSPSLFNPEEFMPLDPTQEPIFPPELLRLKDVPPKQLRFEGERVTWIQASTLKELLDLKAQHPEAKLVVGNTEIGIEMKFKNQLFPMIICPAWIPELNAVEHGPEGISFGAACALSSVEKTLLEAVAKLPTQKTEVFRGVLEQLRWFAGKQVKSVASLGGNIITASPISDLNPVFMASGTKLTIVSRGTRRTVPMDHTFFPSYRKTLLGPEEILLSIEIPYSREDEFFSAFKQASRREDDIAKVTCGMRVLFQPGSMQVKELALCYGGMADRTISALKTTQKQLSKFWNEKLLQDVCAGLAEELSLSPDAPGGMIEFRRTLTLSFFFKFYLTVLKKLGKDSKDKCGKLDPTYTSATLLFQKDPPANIQLFQEVPNGQSKEDTVGRPLPHLAAAMQASGEAVYCDDIPRYENELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCFLSADDIPGSNETGLFNDETVFAKDTVTCVGHIIGAVVADTPEHAERAAHVVKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLKKGFSEADNVVSGELYIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMKTQSFVAKMLGVPVNRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGHPVRCMLDRNEDMLITGGRHPFLARYKVGFMKTGTIVALEVDHYSNAGNSRDLSHSIMERALFHMDNCYKIPNIRGTGRLCKTNLSSNTAFRGFGGPQALFIAENWMSEVAVTCGLPAEEVRWKNMYKEGDLTHFNQRLEGFSVPRCWDECLKSSQYYARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGALIHVYTDGSVLVSHGGTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTVPNSSPTAASVSTDIYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYRTPNLGYSFETNSGNAFHYFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFVQGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPTEFRVSLLRDCPNKKAIYASKAVGEPPLFLGASVFFAIKDAIRAARAQHTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTGAPGNCKPWSLRV
  
Inhibitor
Name:
BDBM157981
Synonyms:
US9023882, 274
Type:
Small organic molecule
Emp. Form.:
C18H10F2N2O3
Mol. Mass.:
340.2804
SMILES:
OC(=O)c1ccc(cc1O)-n1cc(C#N)c(c1)-c1c(F)cccc1F |(6.78,-2.34,;5.44,-3.11,;5.44,-4.65,;4.11,-2.34,;2.78,-3.11,;1.44,-2.34,;1.44,-.8,;2.78,-.03,;4.11,-.8,;5.44,-.03,;.11,-.03,;.11,1.51,;-1.36,1.98,;-2.13,3.32,;-2.9,4.65,;-2.26,.74,;-1.36,-.51,;-3.8,.74,;-4.2,-.75,;-3.11,-1.84,;-5.69,-1.15,;-6.78,-.06,;-6.38,1.43,;-4.89,1.83,;-4.49,3.31,)|
Structure:
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