| Reaction Details |
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 | Report a problem with these data |
| Target | Xanthine dehydrogenase/oxidase |
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| Ligand | BDBM50381872 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_817327 (CHEMBL2026295) |
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| IC50 | 1400±n/a nM |
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| Citation |  B-Rao, C; Kulkarni-Almeida, A; Katkar, KV; Khanna, S; Ghosh, U; Keche, A; Shah, P; Srivastava, A; Korde, V; Nemmani, KV; Deshmukh, NJ; Dixit, A; Brahma, MK; Bahirat, U; Doshi, L; Sharma, R; Sivaramakrishnan, H Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits. Bioorg Med Chem20:2930-9 (2012) [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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| BDBM50381872 |
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| n/a |
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| Name | BDBM50381872 |
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| Synonyms: | CHEMBL2022883 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H13N3O2S |
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| Mol. Mass. | 263.316 |
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| SMILES | COc1ccc(cc1OC)-c1cc(=S)[nH]c(N)n1 |
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| Structure | 
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