Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase SMURF1
Ligand
BDBM332005
Substrate
n/a
Meas. Tech.
Pharmaceutical Assay
IC50
74.0±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:
BDBM332005
Synonyms:
US10195181, Example 25a | US10195181, Example 25b | US10195181, Example 25c | US10195181, Example 25d
Type:
Small organic molecule
Emp. Form.:
C23H34N4O5
Mol. Mass.:
446.5399
SMILES:
Cc1c(onc1C(=O)Nc1c(C)n(C)n(C2CCCCC2)c1=O)C1OCC(O1)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: