Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase SMURF1 [420-757]
Ligand
BDBM238974
Substrate
n/a
Meas. Tech.
Biochemical Assay
Temperature
298.15±n/a K
IC50
4400±n/a nM
Comments
extracted
Citation
 Edwards, A; Ahmed, M; Pulz, RA; Rooney, LA; Smith, N; Troxler, TJ Carboxamide derivatives US Patent  US9403833 Publication Date 8/2/2016 
Target
Name:
E3 ubiquitin-protein ligase SMURF1 [420-757]
Synonyms:
HECT-type E3 ubiquitin transferase SMURF1 | KIAA1625 | SMUF1_HUMAN | SMURF1
Type:
Enzyme
Mol. Mass.:
39188.96
Organism:
Homo sapiens (Human)
Description:
HECTdomain amino acid 420-757
Residue:
338
Sequence:
RPKDLKKRLMVKFRGEEGLDYGGVAREWLYLLCHEMLNPYYGLFQYSTDNIYMLQINPDSSINPDHLSYFHFVGRIMGLAVFHGHYINGGFTVPFYKQLLGKPIQLSDLESVDPELHKSLVWILENDITPVLDHTFCVEHNAFGRILQHELKPNGRNVPVTEENKKEYVRLYVNWRFMRGIEAQFLALQKGFNELIPQHLLKPFDQKELELIIGGLDKIDLNDWKSNTRLKHCVADSNIVRWFWQAVETFDEERRARLLQFVTGSTRVPLQGFKALQGSTGAAGPRLFTIHLIDANTDNLPKAHTCFNRIDIPPYESYEKLYEKLLTAVEETCGFAVE
  
Inhibitor
Name:
BDBM238974
Synonyms:
US9403833, 9
Type:
Small organic molecule
Emp. Form.:
C22H17ClF4N6O3
Mol. Mass.:
524.855
SMILES:
Cc1c(nnn1-c1ccc(OC(F)(F)F)cc1Cl)C(=O)Nc1c(C)n(C)n(-c2ccccc2F)c1=O |(-1.23,-2.26,;-1.23,-.72,;.01,.18,;-.46,1.65,;-2,1.65,;-2.48,.18,;-3.81,-.59,;-5.15,.18,;-6.48,-.59,;-6.48,-2.13,;-7.81,-2.9,;-7.81,-4.44,;-7.81,-5.98,;-9.35,-4.44,;-6.27,-4.44,;-5.15,-2.9,;-3.81,-2.13,;-2.48,-2.9,;1.5,-.22,;1.9,-1.71,;2.59,.87,;4.08,.47,;4.55,-.99,;3.78,-2.33,;6.09,-.99,;6.86,-2.33,;6.57,.47,;7.9,1.24,;7.9,2.78,;9.24,3.55,;10.57,2.78,;10.57,1.24,;9.24,.47,;9.24,-1.07,;5.32,1.38,;5.32,2.92,)|
Structure:
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