Reaction Details |
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Target | Xanthine dehydrogenase/oxidase |
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Ligand | BDBM50426767 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_940601 (CHEMBL2327375) |
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IC50 | 11±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 |
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: | 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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BDBM50426767 |
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n/a |
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Name | BDBM50426767 |
Synonyms: | CHEMBL2322171 |
Type | Small organic molecule |
Emp. Form. | C19H12F4N4O2 |
Mol. Mass. | 404.3178 |
SMILES | Nc1nc(cc(=O)[nH]1)-c1ccc(OCc2ccc(F)cc2C(F)(F)F)c(c1)C#N |
Structure |
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