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Target
NEDD8-activating enzyme E1 regulatory subunit
Ligand
BDBM50427032
Substrate
n/a
Meas. Tech.
ChEMBL_939691 (CHEMBL2328916)
IC50
20000±n/a nM
Citation
 da Silva, SR; Paiva, SL; Lukkarila, JL; Gunning, PT Exploring a new frontier in cancer treatment: targeting the ubiquitin and ubiquitin-like activating enzymes. J Med Chem 56:2165-77 (2013) [PubMed]  Article 
Target
Name:
NEDD8-activating enzyme E1 regulatory subunit
Synonyms:
APP-BP1 | APPBP1 | Amyloid beta precursor protein-binding protein 1, 59 kDa | Amyloid protein-binding protein 1 | NAE1 | Proto-oncogene protein 1 | ULA1_HUMAN
Type:
PROTEIN
Mol. Mass.:
60233.54
Organism:
Homo sapiens (Human)
Description:
ChEMBL_939705
Residue:
534
Sequence:
MAQLGKLLKEQKYDRQLRLWGDHGQEALESAHVCLINATATGTEILKNLVLPGIGSFTIIDGNQVSGEDAGNNFFLQRSSIGKNRAEAAMEFLQELNSDVSGSFVEESPENLLDNDPSFFCRFTVVVATQLPESTSLRLADVLWNSQIPLLICRTYGLVGYMRIIIKEHPVIESHPDNALEDLRLDKPFPELREHFQSYDLDHMEKKDHSHTPWIVIIAKYLAQWYSETNGRIPKTYKEKEDFRDLIRQGILKNENGAPEDEENFEEAIKNVNTALNTTQIPSSIEDIFNDDRCINITKQTPSFWILARALKEFVAKEGQGNLPVRGTIPDMIADSGKYIKLQNVYREKAKKDAAAVGNHVAKLLQSIGQAPESISEKELKLLCSNSAFLRVVRCRSLAEEYGLDTINKDEIISSMDNPDNEIVLYLMLRAVDRFHKQQGRYPGVSNYQVEEDIGKLKSCLTGFLQEYGLSVMVKDDYVHEFCRYGAAEPHTIAAFLGGAAAQEVIKIITKQFVIFNNTYIYSGMSQTSATFQL
  
Inhibitor
Name:
BDBM50427032
Synonyms:
6,6''-Biapigenin | CHEMBL2322196
Type:
Small organic molecule
Emp. Form.:
C30H18O10
Mol. Mass.:
538.4579
SMILES:
Oc1ccc(cc1)-c1cc(O)c2c(cc(O)c(-c3c(O)cc4oc(cc(=O)c4c3O)-c3ccc(O)cc3)c2=O)o1 |(1,-46.28,;2.34,-47.05,;2.34,-48.59,;3.67,-49.36,;5.01,-48.59,;5,-47.04,;3.67,-46.28,;6.34,-49.36,;6.35,-50.9,;7.67,-51.67,;7.67,-53.21,;9.01,-50.9,;9.01,-49.36,;10.33,-48.59,;11.66,-49.35,;12.99,-48.58,;11.66,-50.89,;13,-51.66,;12.99,-53.2,;11.66,-53.97,;14.33,-53.97,;15.66,-53.19,;16.99,-53.96,;18.32,-53.19,;18.32,-51.65,;16.98,-50.87,;16.98,-49.33,;15.65,-51.65,;14.32,-50.89,;14.31,-49.35,;19.65,-53.96,;19.65,-55.5,;20.98,-56.27,;22.32,-55.5,;23.65,-56.27,;22.31,-53.95,;20.98,-53.19,;10.34,-51.66,;10.34,-53.2,;7.68,-48.58,)|
Structure:
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