Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase SMURF1
Ligand
BDBM239114
Substrate
n/a
Meas. Tech.
ChEBML_1614090
IC50
2500±n/a nM
Citation
 Abdel-Magid, AF Therapeutic Potential of Smurf-1 Inhibitors for the Treatment of Pulmonary Arterial Hypertension (PAH). ACS Med Chem Lett 7:878-880 (2016) [PubMed]  Article 
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:
BDBM239114
Synonyms:
US9403810, 14
Type:
Small organic molecule
Emp. Form.:
C24H36N4O5
Mol. Mass.:
460.5664
SMILES:
COC1CC(OC(C1)C(C)(C)C)c1onc(C(=O)Nc2c(C)n(C)n(C3CCC3)c2=O)c1C
Structure:
Search PDB for entries with ligand similarity: