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Target
E3 ubiquitin-protein ligase SMURF1
Ligand
BDBM332001
Substrate
n/a
Meas. Tech.
Pharmaceutical Assay
IC50
160±n/a nM
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 
Target
Name:
E3 ubiquitin-protein ligase SMURF1
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
Type:
PROTEIN
Mol. Mass.:
86120.64
Organism:
Homo sapiens (Human)
Description:
ChEMBL_116984
Residue:
757
Sequence:
MSNPGTRRNGSSIKIRLTVLCAKNLAKKDFFRLPDPFAKIVVDGSGQCHSTDTVKNTLDPKWNQHYDLYVGKTDSITISVWNHKKIHKKQGAGFLGCVRLLSNAISRLKDTGYQRLDLCKLNPSDTDAVRGQIVVSLQTRDRIGTGGSVVDCRGLLENEGTVYEDSGPGRPLSCFMEEPAPYTDSTGAAAGGGNCRFVESPSQDQRLQAQRLRNPDVRGSLQTPQNRPHGHQSPELPEGYEQRTTVQGQVYFLHTQTGVSTWHDPRIPSPSGTIPGGDAAFLYEFLLQGHTSEPRDLNSVNCDELGPLPPGWEVRSTVSGRIYFVDHNNRTTQFTDPRLHHIMNHQCQLKEPSQPLPLPSEGSLEDEELPAQRYERDLVQKLKVLRHELSLQQPQAGHCRIEVSREEIFEESYRQIMKMRPKDLKKRLMVKFRGEEGLDYGGVAREWLYLLCHEMLNPYYGLFQYSTDNIYMLQINPDSSINPDHLSYFHFVGRIMGLAVFHGHYINGGFTVPFYKQLLGKPIQLSDLESVDPELHKSLVWILENDITPVLDHTFCVEHNAFGRILQHELKPNGRNVPVTEENKKEYVRLYVNWRFMRGIEAQFLALQKGFNELIPQHLLKPFDQKELELIIGGLDKIDLNDWKSNTRLKHCVADSNIVRWFWQAVETFDEERRARLLQFVTGSTRVPLQGFKALQGSTGAAGPRLFTIHLIDANTDNLPKAHTCFNRIDIPPYESYEKLYEKLLTAVEETCGFAVE
  
Inhibitor
Name:
BDBM332001
Synonyms:
A mixture of 5-((2R,4S)-4-(2-bromopropan-2-yl)tetrahydrofuran-2-yl)-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide and 5-((2S,4R)-4-(2-bromopropan-2-yl)tetrahydrofuran-2-yl)-N-(2-cyclohexyl-1,5-dimethyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl)-4-methylisoxazole-3-carboxamide | US10195181, Example 23
Type:
Small organic molecule
Emp. Form.:
C23H33BrN4O4
Mol. Mass.:
509.437
SMILES:
Cc1c(noc1[C@@H]1C[C@H](CO1)C(C)(C)Br)C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O |r|
Structure:
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