| Reaction Details |
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 | Report a problem with these data |
| Target | Xanthine dehydrogenase/oxidase |
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| Ligand | BDBM50426768 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_940601 (CHEMBL2327375) |
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| IC50 | 9.0±n/a nM |
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| Citation |  Bajaj, K; Burudkar, S; Shah, P; Keche, A; Ghosh, U; Tannu, P; Khanna, S; Srivastava, A; Deshmukh, NJ; Dixit, A; Ahire, Y; Damre, A; Nemmani, KV; Kulkarni-Almeida, A; B-Rao, C; Sharma, R; Sivaramakrishnan, H Lead optimization of isocytosine-derived xanthine oxidase inhibitors. Bioorg Med Chem Lett23:834-8 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Xanthine dehydrogenase/oxidase |
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| Name: | Xanthine dehydrogenase/oxidase |
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| Synonyms: | XDH | XDH_BOVIN | Xanthine dehydrogenase | Xanthine oxidase | Xanthine oxidase (XO) |
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| Type: | Protein |
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| Mol. Mass.: | 146809.00 |
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| Organism: | Bos taurus (Bovine) |
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| Description: | P80457 |
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| Residue: | 1332 |
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| Sequence: | MTADELVFFVNGKKVVEKNADPETTLLAYLRRKLGLRGTKLGCGEGGCGACTVMLSKYDR
LQDKIIHFSANACLAPICTLHHVAVTTVEGIGSTKTRLHPVQERIAKSHGSQCGFCTPGI
VMSMYTLLRNQPEPTVEEIEDAFQGNLCRCTGYRPILQGFRTFAKNGGCCGGNGNNPNCC
MNQKKDHTVTLSPSLFNPEEFMPLDPTQEPIFPPELLRLKDVPPKQLRFEGERVTWIQAS
TLKELLDLKAQHPEAKLVVGNTEIGIEMKFKNQLFPMIICPAWIPELNAVEHGPEGISFG
AACALSSVEKTLLEAVAKLPTQKTEVFRGVLEQLRWFAGKQVKSVASLGGNIITASPISD
LNPVFMASGTKLTIVSRGTRRTVPMDHTFFPSYRKTLLGPEEILLSIEIPYSREDEFFSA
FKQASRREDDIAKVTCGMRVLFQPGSMQVKELALCYGGMADRTISALKTTQKQLSKFWNE
KLLQDVCAGLAEELSLSPDAPGGMIEFRRTLTLSFFFKFYLTVLKKLGKDSKDKCGKLDP
TYTSATLLFQKDPPANIQLFQEVPNGQSKEDTVGRPLPHLAAAMQASGEAVYCDDIPRYE
NELFLRLVTSTRAHAKIKSIDVSEAQKVPGFVCFLSADDIPGSNETGLFNDETVFAKDTV
TCVGHIIGAVVADTPEHAERAAHVVKVTYEDLPAIITIEDAIKNNSFYGSELKIEKGDLK
KGFSEADNVVSGELYIGGQDHFYLETHCTIAIPKGEEGEMELFVSTQNAMKTQSFVAKML
GVPVNRILVRVKRMGGGFGGKETRSTLVSVAVALAAYKTGHPVRCMLDRNEDMLITGGRH
PFLARYKVGFMKTGTIVALEVDHYSNAGNSRDLSHSIMERALFHMDNCYKIPNIRGTGRL
CKTNLSSNTAFRGFGGPQALFIAENWMSEVAVTCGLPAEEVRWKNMYKEGDLTHFNQRLE
GFSVPRCWDECLKSSQYYARKSEVDKFNKENCWKKRGLCIIPTKFGISFTVPFLNQAGAL
IHVYTDGSVLVSHGGTEMGQGLHTKMVQVASKALKIPISKIYISETSTNTVPNSSPTAAS
VSTDIYGQAVYEACQTILKRLEPFKKKNPDGSWEDWVMAAYQDRVSLSTTGFYRTPNLGY
SFETNSGNAFHYFTYGVACSEVEIDCLTGDHKNLRTDIVMDVGSSLNPAIDIGQVEGAFV
QGLGLFTLEELHYSPEGSLHTRGPSTYKIPAFGSIPTEFRVSLLRDCPNKKAIYASKAVG
EPPLFLGASVFFAIKDAIRAARAQHTNNNTKELFRLDSPATPEKIRNACVDKFTTLCVTG
APGNCKPWSLRV
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| BDBM50426768 |
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| n/a |
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| Name | BDBM50426768 |
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| Synonyms: | CHEMBL2322170 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H13F3N4O2 |
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| Mol. Mass. | 386.3273 |
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| SMILES | Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccccc2C(F)(F)F)c(c1)C#N |
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| Structure | 
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