| Reaction Details |
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 | Report a problem with these data |
| Target | E3 ubiquitin-protein ligase SMURF1 |
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| Ligand | BDBM331991 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Pharmaceutical Assay |
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| IC50 | 980±n/a nM |
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| Citation |  Bala, KJ; Brearley, A; Dale, J; Edwards, A; Ahmed, M; Porter, D; Pulz, RA; Rooney, LA; Sandham, DA; Shaw, D; Smith, N; Taylor, JL; Taylor, RJ; Troxler, TJ; Wrigglesworth, J Carboxamide derivatives US Patent US10195181 Publication Date 2/5/2019 |
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| More Info.: | Get all data from this article, Assay Method |
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| E3 ubiquitin-protein ligase SMURF1 |
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| Name: | E3 ubiquitin-protein ligase SMURF1 |
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| Synonyms: | E3 ubiquitin-protein ligase SMURF1 | HECT-type E3 ubiquitin transferase SMURF1 | KIAA1625 | SMAD ubiquitination regulatory factor 1 | SMAD-specific E3 ubiquitin-protein ligase 1 | SMUF1_HUMAN | SMURF1 | hSMURF1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 86120.64 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_116984 |
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| Residue: | 757 |
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| Sequence: | MSNPGTRRNGSSIKIRLTVLCAKNLAKKDFFRLPDPFAKIVVDGSGQCHSTDTVKNTLDP
KWNQHYDLYVGKTDSITISVWNHKKIHKKQGAGFLGCVRLLSNAISRLKDTGYQRLDLCK
LNPSDTDAVRGQIVVSLQTRDRIGTGGSVVDCRGLLENEGTVYEDSGPGRPLSCFMEEPA
PYTDSTGAAAGGGNCRFVESPSQDQRLQAQRLRNPDVRGSLQTPQNRPHGHQSPELPEGY
EQRTTVQGQVYFLHTQTGVSTWHDPRIPSPSGTIPGGDAAFLYEFLLQGHTSEPRDLNSV
NCDELGPLPPGWEVRSTVSGRIYFVDHNNRTTQFTDPRLHHIMNHQCQLKEPSQPLPLPS
EGSLEDEELPAQRYERDLVQKLKVLRHELSLQQPQAGHCRIEVSREEIFEESYRQIMKMR
PKDLKKRLMVKFRGEEGLDYGGVAREWLYLLCHEMLNPYYGLFQYSTDNIYMLQINPDSS
INPDHLSYFHFVGRIMGLAVFHGHYINGGFTVPFYKQLLGKPIQLSDLESVDPELHKSLV
WILENDITPVLDHTFCVEHNAFGRILQHELKPNGRNVPVTEENKKEYVRLYVNWRFMRGI
EAQFLALQKGFNELIPQHLLKPFDQKELELIIGGLDKIDLNDWKSNTRLKHCVADSNIVR
WFWQAVETFDEERRARLLQFVTGSTRVPLQGFKALQGSTGAAGPRLFTIHLIDANTDNLP
KAHTCFNRIDIPPYESYEKLYEKLLTAVEETCGFAVE
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| BDBM331991 |
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| n/a |
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| Name | BDBM331991 |
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| Synonyms: | A mixture of 5-((2R,6S)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-isopropyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide and 5-((2S,6R)-6-(tert-butyl)tetrahydro-2H-pyran-2-yl)-N-(2-isopropyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide | US10195181, Example 17 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H34N4O4 |
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| Mol. Mass. | 418.5298 |
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| SMILES | CC(C)n1n(C)c(C)c(NC(=O)c2noc([C@H]3CCC[C@H](O3)C(C)(C)C)c2C)c1=O |r| |
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| Structure | 
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